3,7-dimethyl-1-(4-phosphonatobutyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(4-phosphonatobutyl)purine-2,6-dione Openeye Name: 3,7-dimethyl-1-(4-phosphonatobutyl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-(4-phosphonatobutyl)purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-(4-phosphonatobutyl)purine-2,6-dione Traditional Name: 3,7-dimethyl-1-(4-phosphonatobutyl)xanthine Formula: C11H15N4O5P-2 MolecularWeight: 314.234361

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCP(=O)([O-])[O-]

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCP(=O)([O-])[O-]

InChI

InChI=1S/C11H17N4O5P/c1-13-7-12-9-8(13)10(16)15(11(17)14(9)2)5-3-4-6-21(18,19)20/h7H,3-6H2,1-2H3,(H2,18,19,20)/p-2