7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(4-thiophen-2-ylcarbonylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(4-thiophen-2-ylcarbonylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[4-(thiophene-2-carbonyl)piperazin-1-yl]purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]purine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[4-(thiophene-2-carbonyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-1,3-dimethyl-8-[4-(2-thenoyl)piperazino]xanthine Formula: C23H23ClN6O3S MolecularWeight: 498.98512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=O)C4=CC=CS4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=O)C4=CC=CS4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H23ClN6O3S/c1-26-19-18(21(32)27(2)23(26)33)30(14-15-5-7-16(24)8-6-15)22(25-19)29-11-9-28(10-12-29)20(31)17-4-3-13-34-17/h3-8,13H,9-12,14H2,1-2H3