3-(2-methylphenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(2-methylphenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(o-tolyl)-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(2-methylphenyl)-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(2-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(2-keto-2-piperidino-ethyl)thio]-3-(o-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)N4CCCCC4)SC=C3

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)N4CCCCC4)SC=C3

InChI

InChI=1S/C20H21N3O2S2/c1-14-7-3-4-8-16(14)23-19(25)15-9-12-26-18(15)21-20(23)27-13-17(24)22-10-5-2-6-11-22/h3-4,7-9,12H,2,5-6,10-11,13H2,1H3