3-butyl-7-(2-methylpropyl)-8-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-(2-methylpropyl)-8-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]purine-2,6-dione Openeye Name: 3-butyl-7-isobutyl-8-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]purine-2,6-dione CAS Name: 3-butyl-7-(2-methylpropyl)-8-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]purine-2,6-dione IUPAC Name: 3-butyl-7-(2-methylpropyl)-8-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]purine-2,6-dione Traditional Name: 3-butyl-7-isobutyl-8-[3-keto-3-(4-phenylpiperazino)propyl]xanthine Formula: C26H36N6O3 MolecularWeight: 480.60244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4)CC(C)C

InChI

InChI=1S/C26H36N6O3/c1-4-5-13-31-24-23(25(34)28-26(31)35)32(18-19(2)3)21(27-24)11-12-22(33)30-16-14-29(15-17-30)20-9-7-6-8-10-20/h6-10,19H,4-5,11-18H2,1-3H3,(H,28,34,35)