[(2R,3R,4R,5R)-5-[2-acetamido-6-[[di(propan-2-yl)amino]-methoxy-phosphinothioyl]oxy-purin-9-yl]-3,4-diacetyloxy-oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4R,5R)-5-[2-acetamido-6-[[di(propan-2-yl)amino]-methoxy-phosphinothioyl]oxy-purin-9-yl]-3,4-diacetyloxy-oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4R,5R)-5-[2-acetamido-6-[(diisopropylamino)-methoxy-phosphinothioyl]oxy-purin-9-yl]-3,4-diacetoxy-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4R,5R)-5-[2-acetamido-6-[[di(propan-2-yl)amino]-methoxyphosphinothioyl]oxy-9-purinyl]-3,4-diacetyloxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-5-[2-acetamido-6-[[di(propan-2-yl)amino]-methoxyphosphinothioyl]oxypurin-9-yl]-3,4-diacetyloxyoxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4R,5R)-5-[2-acetamido-6-[(diisopropylamino)-methoxy-thiophosphoryl]oxy-purin-9-yl]-3,4-diacetoxy-tetrahydrofuran-2-yl]methyl ester Formula: C25H37N6O10PS MolecularWeight: 644.634241

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)P(=S)(OC)OC1=NC(=NC2=C1N=CN2C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C

Isomeric SMILES

CC(C)N(C(C)C)P(=S)(OC)OC1=NC(=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C

InChI

InChI=1S/C25H37N6O10PS/c1-12(2)31(13(3)4)42(43,36-9)41-23-19-22(28-25(29-23)27-14(5)32)30(11-26-19)24-21(39-17(8)35)20(38-16(7)34)18(40-24)10-37-15(6)33/h11-13,18,20-21,24H,10H2,1-9H3,(H,27,28,29,32)/t18-,20-,21-,24-,42?/m1/s1