5-(6-aminopurin-9-yl)-2-[[[5-(4-azanyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-ol

Systemtic Name: 5-(6-aminopurin-9-yl)-2-[[[5-(4-azanyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-ol Openeye Name: 5-(6-aminopurin-9-yl)-2-[[[5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-ol CAS Name: 5-(6-aminopurin-9-yl)-2-[[[5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-(hydroxymethyl)-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanol IUPAC Name: 5-(6-aminopurin-9-yl)-2-[[[5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-ol Traditional Name: 5-adenin-9-yl-2-[[[5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-methylol-tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-ol Formula: C21H26N9O7PS MolecularWeight: 579.526001

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=S)(O)OC4CC(OC4CO)C5=CC6=C(N5)N=CN=C6N)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=S)(O)OC4CC(OC4CO)C5=CC6=C(N5)N=CN=C6N)O

InChI

InChI=1S/C21H26N9O7PS/c22-18-9-1-10(29-20(9)26-6-24-18)12-3-13(14(4-31)35-12)37-38(33,39)34-5-15-11(32)2-16(36-15)30-8-28-17-19(23)25-7-27-21(17)30/h1,6-8,11-16,31-32H,2-5H2,(H,33,39)(H2,23,25,27)(H3,22,24,26,29)