3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-one

Systemtic Name: 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-6-methyl-pyrimidin-4-one CAS Name: 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6-methyl-2-(phenylmethylthio)-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6-methylpyrimidin-4-one Traditional Name: 2-(benzylthio)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]-6-methyl-pyrimidin-4-one Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CC(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CC(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C23H23N3O2S/c1-17-14-21(27)26(23(24-17)29-16-18-8-3-2-4-9-18)15-22(28)25-13-7-11-19-10-5-6-12-20(19)25/h2-6,8-10,12,14H,7,11,13,15-16H2,1H3