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小分子和化合物库
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腺嘌呤核苷分子式: C10H13N5O4 分子量: 267.24IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolSMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)NInChIKey: OIRDTQYFTABQOQ-KQYNXXCUSA-NInChI: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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2-氯腺嘌呤核苷分子式: C10H12ClN5O4 分子量: 301.69IUPAC Name: (2R,3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolSMILES: C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)Cl)NInChIKey: BIXYYZIIJIXVFW-UUOKFMHZSA-NInChI: InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
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伊曲茶碱CAS号 : 155270-99-8 Compound CID : 5311037分子式: C20H24N4O4 分子量: 384.43IUPAC Name: 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dioneSMILES: CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)C=CC3=CC(=C(C=C3)OC)OC)CInChIKey: IQVRBWUUXZMOPW-PKNBQFBNSA-NInChI: InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+
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ZM 241385,A 2A拮抗剂CAS号 : 139180-30-6 Compound CID : 176407分子式: C16H15N7O2 分子量: 337.34IUPAC Name: 4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenolSMILES: C1=COC(=C1)C2=NN3C(=NC(=NC3=N2)NCCC4=CC=C(C=C4)O)NInChIKey: PWTBZOIUWZOPFT-UHFFFAOYSA-NInChI: InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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2-己基腺苷-5'-N-乙基羧酰胺（HENECA）CAS号 : 141018-30-6分子式: C18H24N6O4 分子量: 388.42IUPAC Name: (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamideSMILES: CCCCC#CC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)C(=O)NCC)O)O)NInChIKey: FDEACFAXFCKCHZ-MOROJQBDSA-NInChI: InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1
