1,3-dimethyl-7-(phenylmethyl)-8-(4-thiophen-2-ylcarbonylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(phenylmethyl)-8-(4-thiophen-2-ylcarbonylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-[4-(thiophene-2-carbonyl)piperazin-1-yl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-[4-(thiophene-2-carbonyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-[4-(2-thenoyl)piperazino]xanthine Formula: C23H24N6O3S MolecularWeight: 464.54006

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C23H24N6O3S/c1-25-19-18(21(31)26(2)23(25)32)29(15-16-7-4-3-5-8-16)22(24-19)28-12-10-27(11-13-28)20(30)17-9-6-14-33-17/h3-9,14H,10-13,15H2,1-2H3