[5-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-1,3,2-dioxaphosphinan-2-yl] dihydrogen phosphate

Systemtic Name: [5-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-1,3,2-dioxaphosphinan-2-yl] dihydrogen phosphate Openeye Name: [5-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-1,3,2-dioxaphosphinan-2-yl] dihydrogen phosphate CAS Name: [5-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-1,3,2-dioxaphosphorinan-2-yl] dihydrogen phosphate IUPAC Name: [5-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-1,3,2-dioxaphosphinan-2-yl] dihydrogen phosphate Traditional Name: [5-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-1,3,2-dioxaphosphorinan-2-yl] dihydrogen phosphate Formula: C9H13N5O8P2 MolecularWeight: 381.175742

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COP(O1)OP(=O)(O)O)OCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1C(COP(O1)OP(=O)(O)O)OCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C9H13N5O8P2/c10-9-12-7-6(8(15)13-9)11-3-14(7)4-19-5-1-20-23(21-2-5)22-24(16,17)18/h3,5H,1-2,4H2,(H2,16,17,18)(H3,10,12,13,15)