[4,5-bis(oxidanyl)-2-(7H-purin-6-yl)-2-sulfanyl-oxan-3-yl] dihydrogen phosphate

Systemtic Name: [4,5-bis(oxidanyl)-2-(7H-purin-6-yl)-2-sulfanyl-oxan-3-yl] dihydrogen phosphate Openeye Name: [4,5-dihydroxy-2-(7H-purin-6-yl)-2-sulfanyl-tetrahydropyran-3-yl] dihydrogen phosphate CAS Name: [4,5-dihydroxy-2-mercapto-2-(7H-purin-6-yl)-3-oxanyl] dihydrogen phosphate IUPAC Name: [4,5-dihydroxy-2-(7H-purin-6-yl)-2-sulfanyloxan-3-yl] dihydrogen phosphate Traditional Name: [4,5-dihydroxy-2-mercapto-2-(7H-purin-6-yl)tetrahydropyran-3-yl] dihydrogen phosphate Formula: C10H13N4O7PS MolecularWeight: 364.271581

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(O1)(C2=C3C(=NC=N2)N=CN3)S)OP(=O)(O)O)O)O

Isomeric SMILES

C1C(C(C(C(O1)(C2=C3C(=NC=N2)N=CN3)S)OP(=O)(O)O)O)O

InChI

InChI=1S/C10H13N4O7PS/c15-4-1-20-10(23,8(6(4)16)21-22(17,18)19)7-5-9(13-2-11-5)14-3-12-7/h2-4,6,8,15-16,23H,1H2,(H2,17,18,19)(H,11,12,13,14)