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

Systemtic Name: 1,3-dimethyl-8-(4-thiophen-2-ylcarbonylpiperazin-1-yl)-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[4-(thiophene-2-carbonyl)piperazin-1-yl]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[4-(thiophene-2-carbonyl)piperazin-1-yl]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[4-(2-thenoyl)piperazino]-7H-purine-2,6-quinone Formula: C16H18N6O3S MolecularWeight: 374.41752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6O3S/c1-19-12-11(14(24)20(2)16(19)25)17-15(18-12)22-7-5-21(6-8-22)13(23)10-4-3-9-26-10/h3-4,9H,5-8H2,1-2H3,(H,17,18)