6-methyl-2-[[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-methyl-2-[[3-(o-tolyl)-4-oxo-quinazolin-2-yl]methylsulfanyl]pyrimidin-4-olate CAS Name: 6-methyl-2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]methylthio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]pyrimidin-4-olate Traditional Name: 2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]methylthio]-6-methyl-pyrimidin-4-olate Formula: C21H17N4O2S- MolecularWeight: 389.45028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC4=NC(=CC(=N4)[O-])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)/p-1