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名称: (2R,3S,4R,5R)-2-(2-benzyl-2H-tetrazol-5-yl)-5-[2-chloro-6-(2,2-diphenylethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol

IUPAC: (2R,3S,4R,5R)-2-(2-benzyltetrazol-5-yl)-5-[2-chloro-6-(2,2-diphenylethylamino)purin-9-yl]oxolane-3,4-diol

SMILES: O[C@@H]1[C@H](O)[C@@H](c2nnn(Cc3ccccc3)n2)O[C@H]1n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(Cl)nc21

Canonical SMILES: C1=CC=C(C=C1)CN2N=C(N=N2)C3C(C(C(O3)N4C=NC5=C(N=C(N=C54)Cl)NCC(C6=CC=CC=C6)C7=CC=CC=C7)O)O

分子式: C31H28ClN9O3

分子量: 610.10

InChIKey: ORAKYBLRUWOQQT-YRIIQKNPSA-N

InChI: InChI=1S/C31H28ClN9O3/c32-31-35-27(33-16-22(20-12-6-2-7-13-20)21-14-8-3-9-15-21)23-29(36-31)40(18-34-23)30-25(43)24(42)26(44-30)28-37-39-41(38-28)17-19-10-4-1-5-11-19/h1-15,18,22,24-26,30,42-43H,16-17H2,(H,33,35,36)/t24-,25+,26-,30+/m0/s1

PubChem CID: 86645702 →

同义词

SCHEMBL2805185ORAKYBLRUWOQQT-YRIIQKNPSA-N(2R,3S,4R,5R)-2-(2-benzyl-2H-tetrazol-5-yl)-5-[2-chloro-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol(2R,3S,4R,5R)-2-(2-benzyl-2H-tetrazol-5-yl)-5-[2-chloro-6-(2,2-diphenylethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol

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