bis[[3-(6-sulfanylidene-3H-purin-9-yl)cyclopentyl]methyl] hydrogen phosphate

Systemtic Name: bis[[3-(6-sulfanylidene-3H-purin-9-yl)cyclopentyl]methyl] hydrogen phosphate Openeye Name: bis[[3-(6-thioxo-3H-purin-9-yl)cyclopentyl]methyl] hydrogen phosphate CAS Name: bis[[3-(6-sulfanylidene-3H-purin-9-yl)cyclopentyl]methyl] hydrogen phosphate IUPAC Name: bis[[3-(6-sulfanylidene-3H-purin-9-yl)cyclopentyl]methyl] hydrogen phosphate Traditional Name: bis[[3-(6-thioxo-3H-purin-9-yl)cyclopentyl]methyl] hydrogen phosphate Formula: C22H27N8O4PS2 MolecularWeight: 562.604741

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC1COP(=O)(O)OCC2CCC(C2)N3C=NC4=C3NC=NC4=S)N5C=NC6=C5NC=NC6=S

Isomeric SMILES

C1CC(CC1COP(=O)(O)OCC2CCC(C2)N3C=NC4=C3NC=NC4=S)N5C=NC6=C5NC=NC6=S

InChI

InChI=1S/C22H27N8O4PS2/c31-35(32,33-7-13-1-3-15(5-13)29-11-27-17-19(29)23-9-25-21(17)36)34-8-14-2-4-16(6-14)30-12-28-18-20(30)24-10-26-22(18)37/h9-16H,1-8H2,(H,31,32)(H,23,25,36)(H,24,26,37)