1-(4-phosphonatobutyl)-7-propan-2-yl-3H-purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1C(=O)N(C(=O)N2)CCCCP(=O)([O-])[O-]

Isomeric SMILES

CC(C)N1C=NC2=C1C(=O)N(C(=O)N2)CCCCP(=O)([O-])[O-]

InChI

InChI=1S/C12H19N4O5P/c1-8(2)16-7-13-10-9(16)11(17)15(12(18)14-10)5-3-4-6-22(19,20)21/h7-8H,3-6H2,1-2H3,(H,14,18)(H2,19,20,21)/p-2