1,3-dimethyl-8-[4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[4-[2-(2-thienyl)acetyl]piperazin-1-yl]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[4-(1-oxo-2-thiophen-2-ylethyl)-1-piperazinyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[4-[2-(2-thienyl)acetyl]piperazino]-7H-purine-2,6-quinone Formula: C17H20N6O3S MolecularWeight: 388.4441

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=O)CC4=CC=CS4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=O)CC4=CC=CS4

InChI

InChI=1S/C17H20N6O3S/c1-20-14-13(15(25)21(2)17(20)26)18-16(19-14)23-7-5-22(6-8-23)12(24)10-11-4-3-9-27-11/h3-4,9H,5-8,10H2,1-2H3,(H,18,19)