3,7-dimethyl-1-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]purine-2,6-dione Traditional Name: 1-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]-3,7-dimethyl-xanthine Formula: C18H20N6O4S MolecularWeight: 416.4542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C18H20N6O4S/c1-20-11-19-15-14(20)17(27)24(18(28)21(15)2)10-13(25)22-5-7-23(8-6-22)16(26)12-4-3-9-29-12/h3-4,9,11H,5-8,10H2,1-2H3