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

Systemtic Name: 8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-[4-(3-chlorophenyl)piperazin-1-yl]-7-isopentyl-3-methyl-purine-2,6-dione CAS Name: 8-[4-(3-chlorophenyl)-1-piperazinyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-[4-(3-chlorophenyl)piperazino]-7-isoamyl-3-methyl-xanthine Formula: C21H27ClN6O2 MolecularWeight: 430.93108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1N3CCN(CC3)C4=CC(=CC=C4)Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1N3CCN(CC3)C4=CC(=CC=C4)Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H27ClN6O2/c1-14(2)7-8-28-17-18(25(3)21(30)24-19(17)29)23-20(28)27-11-9-26(10-12-27)16-6-4-5-15(22)13-16/h4-6,13-14H,7-12H2,1-3H3,(H,24,29,30)