2-[(4,8-dimethylquinazolin-2-yl)amino]-6-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[(4,8-dimethylquinazolin-2-yl)amino]-6-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(4,8-dimethylquinazolin-2-yl)amino]-6-(p-tolylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[(4,8-dimethyl-2-quinazolinyl)amino]-6-[[(4-methylphenyl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(4,8-dimethylquinazolin-2-yl)amino]-6-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 2-[(4,8-dimethylquinazolin-2-yl)amino]-6-[(p-tolylthio)methyl]-1H-pyrimidin-4-one Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)NC3=NC4=C(C=CC=C4C)C(=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)NC3=NC4=C(C=CC=C4C)C(=N3)C

InChI

InChI=1S/C22H21N5OS/c1-13-7-9-17(10-8-13)29-12-16-11-19(28)25-22(24-16)27-21-23-15(3)18-6-4-5-14(2)20(18)26-21/h4-11H,12H2,1-3H3,(H2,23,24,25,26,27,28)