2-azanyl-9-[1,3-bis(oxidanyl)propoxymethyl]-7,8-dihydro-3H-purin-6-one diphosphate

Systemtic Name: 2-azanyl-9-[1,3-bis(oxidanyl)propoxymethyl]-7,8-dihydro-3H-purin-6-one diphosphate Openeye Name: 2-amino-9-(1,3-dihydroxypropoxymethyl)-7,8-dihydro-3H-purin-6-one diphosphate CAS Name: 2-amino-9-(1,3-dihydroxypropoxymethyl)-7,8-dihydro-3H-purin-6-one diphosphate IUPAC Name: 2-amino-9-(1,3-dihydroxypropoxymethyl)-7,8-dihydro-3H-purin-6-one diphosphate Traditional Name: 2-amino-9-(1,3-dihydroxypropoxymethyl)-7,8-dihydro-3H-purin-6-one diphosphate Formula: C9H15N5O12P2-6 MolecularWeight: 447.189222

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1COC(CCO)O)NC(=NC2=O)N.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1NC2=C(N1COC(CCO)O)NC(=NC2=O)N.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C9H15N5O4.2H3O4P/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(16)1-2-15;2*1-5(2,3)4/h5,11,15-16H,1-4H2,(H3,10,12,13,17);2*(H3,1,2,3,4)/p-6