[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-phosphonooxy-propyl] dihydrogen phosphate

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-phosphonooxy-propyl] dihydrogen phosphate Openeye Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-phosphonooxy-propyl] dihydrogen phosphate CAS Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-phosphonooxypropyl] dihydrogen phosphate IUPAC Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-phosphonooxypropyl] dihydrogen phosphate Traditional Name: [2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-3-phosphonooxy-propyl] dihydrogen phosphate Formula: C9H15N5O10P2 MolecularWeight: 415.190422

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COC(COP(=O)(O)O)COP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1COC(COP(=O)(O)O)COP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C9H15N5O10P2/c10-9-12-7-6(8(15)13-9)11-3-14(7)4-22-5(1-23-25(16,17)18)2-24-26(19,20)21/h3,5H,1-2,4H2,(H2,16,17,18)(H2,19,20,21)(H3,10,12,13,15)