5-[3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-oxidanylidene-propyl]-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5-[3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-oxidanylidene-propyl]-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-[3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-propyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6-methyl-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-5-[3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-[3-keto-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-6-methyl-1H-pyrimidin-4-one Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)N3CCCC4=C3C=CC(=C4)OC

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)N3CCCC4=C3C=CC(=C4)OC

InChI

InChI=1S/C25H27N3O3S/c1-17-21(24(30)27-25(26-17)32-16-18-7-4-3-5-8-18)11-13-23(29)28-14-6-9-19-15-20(31-2)10-12-22(19)28/h3-5,7-8,10,12,15H,6,9,11,13-14,16H2,1-2H3,(H,26,27,30)