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

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-[4-(2-thienylmethyl)piperazin-1-yl]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-[4-(2-thenyl)piperazino]ethyl]-1,3-dimethyl-xanthine Formula: C18H22N6O3S MolecularWeight: 402.47068

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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)CC4=CC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O3S/c1-20-16-15(17(26)21(2)18(20)27)24(12-19-16)11-14(25)23-7-5-22(6-8-23)10-13-4-3-9-28-13/h3-4,9,12H,5-8,10-11H2,1-2H3