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

Systemtic Name: 8-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 8-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-7-propyl-purine-2,6-dione CAS Name: 8-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 8-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-7-propylpurine-2,6-dione Traditional Name: 8-[4-(2-chlorobenzyl)piperazino]-3-methyl-7-propyl-xanthine Formula: C20H25ClN6O2 MolecularWeight: 416.9045

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC=C4Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC=C4Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H25ClN6O2/c1-3-8-27-16-17(24(2)20(29)23-18(16)28)22-19(27)26-11-9-25(10-12-26)13-14-6-4-5-7-15(14)21/h4-7H,3,8-13H2,1-2H3,(H,23,28,29)