[2-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate

Systemtic Name: [2-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate Openeye Name: [2-(2-amino-6-thioxo-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [2-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: [2-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate Traditional Name: [2-(2-amino-6-thioxo-3H-purin-9-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C10H14N5O7PS MolecularWeight: 379.286221

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)CO)O)OP(=O)(O)O)NC(=NC2=S)N

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(O3)CO)O)OP(=O)(O)O)NC(=NC2=S)N

InChI

InChI=1S/C10H14N5O7PS/c11-10-13-7-4(8(24)14-10)12-2-15(7)9-6(22-23(18,19)20)5(17)3(1-16)21-9/h2-3,5-6,9,16-17H,1H2,(H2,18,19,20)(H3,11,13,14,24)