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

Systemtic Name: 5-[3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-oxidanylidene-propyl]-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-5-[3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-propyl]-6-methyl-pyrimidin-4-olate CAS Name: 5-[3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6-methyl-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-5-[3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6-methylpyrimidin-4-olate Traditional Name: 2-(benzylthio)-5-[3-keto-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-6-methyl-pyrimidin-4-olate Formula: C25H26N3O3S- MolecularWeight: 448.55724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CCC(=O)N3CCCC4=C3C=CC(=C4)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])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)/p-1