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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]purine-2,6-dione Traditional Name: 8-chloro-7-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]-1,3-dimethyl-xanthine Formula: C18H19ClN6O4S MolecularWeight: 450.89926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN6O4S/c1-21-14-13(16(28)22(2)18(21)29)25(17(19)20-14)10-12(26)23-5-7-24(8-6-23)15(27)11-4-3-9-30-11/h3-4,9H,5-8,10H2,1-2H3