7-butyl-8-[(4-cyclopropylcarbonylpiperazin-1-yl)methyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-butyl-8-[(4-cyclopropylcarbonylpiperazin-1-yl)methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]purine-2,6-dione CAS Name: 7-butyl-8-[[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]methyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]purine-2,6-dione Traditional Name: 3-benzyl-7-butyl-8-[[4-(cyclopropanecarbonyl)piperazino]methyl]xanthine Formula: C25H32N6O3 MolecularWeight: 464.55998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CN4CCN(CC4)C(=O)C5CC5

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CN4CCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C25H32N6O3/c1-2-3-11-30-20(17-28-12-14-29(15-13-28)24(33)19-9-10-19)26-22-21(30)23(32)27-25(34)31(22)16-18-7-5-4-6-8-18/h4-8,19H,2-3,9-17H2,1H3,(H,27,32,34)