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

Systemtic Name: [[5-(6-aminopurin-9-yl)-5-methyl-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(propylamino)propyl]amino]butyl] hydrogen phosphate Openeye Name: [[5-(6-aminopurin-9-yl)-4-hydroxy-5-methyl-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(propylamino)propyl]amino]butyl] hydrogen phosphate CAS Name: [[5-(6-aminopurin-9-yl)-4-hydroxy-5-methyl-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(propylamino)propyl]amino]butyl] hydrogen phosphate IUPAC Name: [[5-(6-aminopurin-9-yl)-4-hydroxy-5-methyl-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(propylamino)propyl]amino]butyl] hydrogen phosphate Traditional Name: [(5-adenin-9-yl-4-hydroxy-5-methyl-3-phosphonooxy-tetrahydrofuran-2-yl)methoxy-hydroxy-phosphoryl] [3-hydroxy-4-keto-4-[[3-keto-3-(propylamino)propyl]amino]-2,2-dimethyl-butyl] hydrogen phosphate Formula: C23H40N7O16P3 MolecularWeight: 763.522283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40N7O16P3/c1-5-7-25-14(31)6-8-26-21(34)18(33)22(2,3)10-43-49(40,41)46-48(38,39)42-9-13-16(45-47(35,36)37)17(32)23(4,44-13)30-12-29-15-19(24)27-11-28-20(15)30/h11-13,16-18,32-33H,5-10H2,1-4H3,(H,25,31)(H,26,34)(H,38,39)(H,40,41)(H2,24,27,28)(H2,35,36,37)