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

Systemtic Name: 5-(6-aminopurin-9-yl)-2-[[[5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-ol Openeye Name: 5-(6-aminopurin-9-yl)-2-[[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-ol CAS Name: 5-(6-aminopurin-9-yl)-2-[[[5-(4-amino-7-pyrrolo[2,3-d]pyrimidinyl)-2-(hydroxymethyl)-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanol IUPAC Name: 5-(6-aminopurin-9-yl)-2-[[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-ol Traditional Name: 5-adenin-9-yl-2-[[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-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)N5C=CC6=C5N=CN=C6N)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=S)(O)OC4CC(OC4CO)N5C=CC6=C5N=CN=C6N)O

InChI

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