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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1N3CCN(CC3)C4=CC(=CC=C4)Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1N3CCN(CC3)C4=CC(=CC=C4)Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C22H29ClN6O2/c1-15(2)8-9-29-18-19(25(3)22(31)26(4)20(18)30)24-21(29)28-12-10-27(11-13-28)17-7-5-6-16(23)14-17/h5-7,14-15H,8-13H2,1-4H3