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

Systemtic Name: 2-[[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-methyl-6-(p-tolyl)pyrimidin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-methyl-6-(4-methylphenyl)-2-pyrimidinyl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-methyl-6-(p-tolyl)pyrimidin-2-yl]thio]methyl]-1H-quinazolin-4-one Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=NC(=O)C4=CC=CC=C4N3)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=NC(=O)C4=CC=CC=C4N3)C

InChI

InChI=1S/C21H18N4OS/c1-13-7-9-15(10-8-13)18-11-14(2)22-21(24-18)27-12-19-23-17-6-4-3-5-16(17)20(26)25-19/h3-11H,12H2,1-2H3,(H,23,25,26)