5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]-2-(m-anisylthio)-6-methyl-pyrimidin-4-olate Formula: C24H24N3O3S- MolecularWeight: 434.53066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC(=CC=C2)OC)[O-])CC(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC(=CC=C2)OC)[O-])CC(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C24H25N3O3S/c1-16-20(14-22(28)27-12-6-9-18-8-3-4-11-21(18)27)23(29)26-24(25-16)31-15-17-7-5-10-19(13-17)30-2/h3-5,7-8,10-11,13H,6,9,12,14-15H2,1-2H3,(H,25,26,29)/p-1