5,6-dimethyl-3-(2-methylphenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-3-(2-methylphenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-3-(o-tolyl)-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-3-(2-methylphenyl)-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-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]-5,6-dimethyl-3-(o-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)N4CCCCC4)SC(=C3C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)N4CCCCC4)SC(=C3C)C

InChI

InChI=1S/C22H25N3O2S2/c1-14-9-5-6-10-17(14)25-21(27)19-15(2)16(3)29-20(19)23-22(25)28-13-18(26)24-11-7-4-8-12-24/h5-6,9-10H,4,7-8,11-13H2,1-3H3