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

Systemtic Name: 2-methyl-3-[2-[3-(3-methylphenyl)piperidin-1-yl]-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-methyl-3-[2-[3-(m-tolyl)-1-piperidyl]-2-oxo-ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 2-methyl-3-[2-[3-(3-methylphenyl)-1-piperidinyl]-2-oxoethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-methyl-3-[2-[3-(3-methylphenyl)piperidin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-[3-(m-tolyl)piperidino]ethyl]-2-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2CCCN(C2)C(=O)CN3C(=NC4=C(C3=O)C=CS4)C

Isomeric SMILES

CC1=CC=CC(=C1)C2CCCN(C2)C(=O)CN3C(=NC4=C(C3=O)C=CS4)C

InChI

InChI=1S/C21H23N3O2S/c1-14-5-3-6-16(11-14)17-7-4-9-23(12-17)19(25)13-24-15(2)22-20-18(21(24)26)8-10-27-20/h3,5-6,8,10-11,17H,4,7,9,12-13H2,1-2H3