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

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-[4-(2-oxidanylidene-2-thiophen-2-yl-ethyl)piperazin-1-yl]ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-[4-[2-oxo-2-(2-thienyl)ethyl]piperazin-1-yl]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-[4-(2-oxo-2-thiophen-2-ylethyl)-1-piperazinyl]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-oxo-2-[4-(2-oxo-2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-[4-[2-keto-2-(2-thienyl)ethyl]piperazino]ethyl]-1,3-dimethyl-xanthine Formula: C19H22N6O4S MolecularWeight: 430.48078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6O4S/c1-21-17-16(18(28)22(2)19(21)29)25(12-20-17)11-15(27)24-7-5-23(6-8-24)10-13(26)14-4-3-9-30-14/h3-4,9,12H,5-8,10-11H2,1-2H3