2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-3-(2-methylphenyl)quinazolin-4-one

Systemtic Name: 2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-3-(o-tolyl)quinazolin-4-one CAS Name: 2-[[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-[[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]methyl]-3-(o-tolyl)quinazolin-4-one Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC4=NC(=O)C=C(N4)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC4=NC(=O)C=C(N4)C

InChI

InChI=1S/C21H18N4O2S/c1-13-7-3-6-10-17(13)25-18(12-28-21-22-14(2)11-19(26)24-21)23-16-9-5-4-8-15(16)20(25)27/h3-11H,12H2,1-2H3,(H,22,24,26)