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

Systemtic Name: 5,6-dimethyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3-phenethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-3-phenethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3-phenethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(2-keto-2-piperidino-ethyl)thio]-5,6-dimethyl-3-phenethyl-thieno[2,3-d]pyrimidin-4-one Formula: C23H27N3O2S2 MolecularWeight: 441.60938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCCCC3)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCCCC3)CCC4=CC=CC=C4)C

InChI

InChI=1S/C23H27N3O2S2/c1-16-17(2)30-21-20(16)22(28)26(14-11-18-9-5-3-6-10-18)23(24-21)29-15-19(27)25-12-7-4-8-13-25/h3,5-6,9-10H,4,7-8,11-15H2,1-2H3