3,7-dibutyl-8-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]purine-2,6-dione

Systemtic Name: 3,7-dibutyl-8-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]purine-2,6-dione Openeye Name: 3,7-dibutyl-8-[3-[4-(m-tolyl)piperazin-1-yl]-3-oxo-propyl]purine-2,6-dione CAS Name: 3,7-dibutyl-8-[3-[4-(3-methylphenyl)-1-piperazinyl]-3-oxopropyl]purine-2,6-dione IUPAC Name: 3,7-dibutyl-8-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]purine-2,6-dione Traditional Name: 3,7-dibutyl-8-[3-keto-3-[4-(m-tolyl)piperazino]propyl]xanthine Formula: C27H38N6O3 MolecularWeight: 494.62902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCN(CC3)C4=CC=CC(=C4)C

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCN(CC3)C4=CC=CC(=C4)C

InChI

InChI=1S/C27H38N6O3/c1-4-6-13-32-22(28-25-24(32)26(35)29-27(36)33(25)14-7-5-2)11-12-23(34)31-17-15-30(16-18-31)21-10-8-9-20(3)19-21/h8-10,19H,4-7,11-18H2,1-3H3,(H,29,35,36)