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

Systemtic Name: 6-[(4-methylphenyl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Openeye Name: 2-[(4-methylquinazolin-2-yl)amino]-6-(p-tolylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 6-[[(4-methylphenyl)thio]methyl]-2-[(4-methyl-2-quinazolinyl)amino]-1H-pyrimidin-4-one IUPAC Name: 6-[(4-methylphenyl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Traditional Name: 2-[(4-methylquinazolin-2-yl)amino]-6-[(p-tolylthio)methyl]-1H-pyrimidin-4-one Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5OS/c1-13-7-9-16(10-8-13)28-12-15-11-19(27)25-21(23-15)26-20-22-14(2)17-5-3-4-6-18(17)24-20/h3-11H,12H2,1-2H3,(H2,22,23,24,25,26,27)