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

Systemtic Name: 3-methyl-7-(2-methylpropyl)-1-(4-phosphonatobutyl)purine-2,6-dione Openeye Name: 7-isobutyl-3-methyl-1-(4-phosphonatobutyl)purine-2,6-dione CAS Name: 3-methyl-7-(2-methylpropyl)-1-(4-phosphonatobutyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylpropyl)-1-(4-phosphonatobutyl)purine-2,6-dione Traditional Name: 7-isobutyl-3-methyl-1-(4-phosphonatobutyl)xanthine Formula: C14H21N4O5P-2 MolecularWeight: 356.314101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N4O5P/c1-10(2)8-17-9-15-12-11(17)13(19)18(14(20)16(12)3)6-4-5-7-24(21,22)23/h9-10H,4-8H2,1-3H3,(H2,21,22,23)/p-2