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

Systemtic Name: 8-[4-(2-chlorophenyl)piperazin-1-yl]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-[4-(2-chlorophenyl)piperazin-1-yl]-3-methyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-[4-(2-chlorophenyl)-1-piperazinyl]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-[4-(2-chlorophenyl)piperazin-1-yl]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-[4-(2-chlorophenyl)piperazino]-3-methyl-7-(2-methylallyl)xanthine Formula: C20H23ClN6O2 MolecularWeight: 414.88862

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H23ClN6O2/c1-13(2)12-27-16-17(24(3)20(29)23-18(16)28)22-19(27)26-10-8-25(9-11-26)15-7-5-4-6-14(15)21/h4-7H,1,8-12H2,2-3H3,(H,23,28,29)