diazanium 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl phosphate

Systemtic Name: diazanium 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl phosphate Openeye Name: diammonium 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl phosphate CAS Name: diammonium 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl phosphate IUPAC Name: diazanium 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl phosphate Traditional Name: diammonium 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl phosphate Formula: C10H21N6O6P MolecularWeight: 352.284101

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOP(=O)([O-])[O-].[NH4+].[NH4+]

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOP(=O)([O-])[O-].[NH4+].[NH4+]

InChI

InChI=1S/C10H15N4O6P.2H3N/c1-12-6-11-8-7(12)9(15)14(10(16)13(8)2)4-3-5-20-21(17,18)19;;/h6H,3-5H2,1-2H3,(H2,17,18,19);2*1H3