8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-methyl-7-pentyl-purine-2,6-dione

Systemtic Name: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-[[4-(3-chlorophenyl)piperazino]methyl]-3-methyl-xanthine Formula: C22H29ClN6O2 MolecularWeight: 444.95766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H29ClN6O2/c1-3-4-5-9-29-18(24-20-19(29)21(30)25-22(31)26(20)2)15-27-10-12-28(13-11-27)17-8-6-7-16(23)14-17/h6-8,14H,3-5,9-13,15H2,1-2H3,(H,25,30,31)