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

Systemtic Name: 7-ethyl-3-methyl-1-(4-phosphonatobutyl)purine-2,6-dione Openeye Name: 7-ethyl-3-methyl-1-(4-phosphonatobutyl)purine-2,6-dione CAS Name: 7-ethyl-3-methyl-1-(4-phosphonatobutyl)purine-2,6-dione IUPAC Name: 7-ethyl-3-methyl-1-(4-phosphonatobutyl)purine-2,6-dione Traditional Name: 7-ethyl-3-methyl-1-(4-phosphonatobutyl)xanthine Formula: C12H17N4O5P-2 MolecularWeight: 328.260941

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCP(=O)([O-])[O-]

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCP(=O)([O-])[O-]

InChI

InChI=1S/C12H19N4O5P/c1-3-15-8-13-10-9(15)11(17)16(12(18)14(10)2)6-4-5-7-22(19,20)21/h8H,3-7H2,1-2H3,(H2,19,20,21)/p-2