[[5-[6-azanyl-8-(2,2-dimethylpropylsulfanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[5-[6-azanyl-8-(2,2-dimethylpropylsulfanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[5-[6-amino-8-(2,2-dimethylpropylsulfanyl)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[5-[6-amino-8-(2,2-dimethylpropylthio)-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[5-[6-amino-8-(2,2-dimethylpropylsulfanyl)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[5-[6-amino-8-(neopentylthio)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C15H26N5O13P3S MolecularWeight: 609.378923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CSC1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CN=C2N

Isomeric SMILES

CC(C)(C)CSC1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CN=C2N

InChI

InChI=1S/C15H26N5O13P3S/c1-15(2,3)5-37-14-19-8-11(16)17-6-18-12(8)20(14)13-10(22)9(21)7(31-13)4-30-35(26,27)33-36(28,29)32-34(23,24)25/h6-7,9-10,13,21-22H,4-5H2,1-3H3,(H,26,27)(H,28,29)(H2,16,17,18)(H2,23,24,25)