[[5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [2,2-dimethyl-4-[[3-[2-(3-methyl-3-oxidanyl-butyl)sulfanylethylamino]-3-oxidanyl-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate

Systemtic Name: [[5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [2,2-dimethyl-4-[[3-[2-(3-methyl-3-oxidanyl-butyl)sulfanylethylamino]-3-oxidanyl-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate Openeye Name: [[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [3-hydroxy-4-[[3-hydroxy-3-[2-(3-hydroxy-3-methyl-butyl)sulfanylethylamino]propyl]amino]-2,2-dimethyl-4-oxo-butyl] hydrogen phosphate CAS Name: [[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [3-hydroxy-4-[[3-hydroxy-3-[2-[(3-hydroxy-3-methylbutyl)thio]ethylamino]propyl]amino]-2,2-dimethyl-4-oxobutyl] hydrogen phosphate IUPAC Name: [[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3-hydroxy-4-[[3-hydroxy-3-[2-(3-hydroxy-3-methylbutyl)sulfanylethylamino]propyl]amino]-2,2-dimethyl-4-oxobutyl] hydrogen phosphate Traditional Name: [(5-adenin-9-yl-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl)methoxy-hydroxy-phosphoryl] [3-hydroxy-4-[[3-hydroxy-3-[2-[(3-hydroxy-3-methyl-butyl)thio]ethylamino]propyl]amino]-4-keto-2,2-dimethyl-butyl] hydrogen phosphate Formula: C26H48N7O17P3S MolecularWeight: 855.682303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSCCNC(CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)O)O

Isomeric SMILES

CC(C)(CCSCCNC(CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)O)O

InChI

InChI=1S/C26H48N7O17P3S/c1-25(2,20(36)23(37)29-7-5-16(34)28-8-10-54-9-6-26(3,4)38)12-47-53(44,45)50-52(42,43)46-11-15-19(49-51(39,40)41)18(35)24(48-15)33-14-32-17-21(27)30-13-31-22(17)33/h13-16,18-20,24,28,34-36,38H,5-12H2,1-4H3,(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)