2-[(8-chloranyl-4-methyl-quinazolin-2-yl)amino]-6-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[(8-chloranyl-4-methyl-quinazolin-2-yl)amino]-6-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(8-chloro-4-methyl-quinazolin-2-yl)amino]-6-(p-tolylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[(8-chloro-4-methyl-2-quinazolinyl)amino]-6-[[(4-methylphenyl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(8-chloro-4-methylquinazolin-2-yl)amino]-6-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 2-[(8-chloro-4-methyl-quinazolin-2-yl)amino]-6-[(p-tolylthio)methyl]-1H-pyrimidin-4-one Formula: C21H18ClN5OS MolecularWeight: 423.91852

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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=C4Cl)C(=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)NC3=NC4=C(C=CC=C4Cl)C(=N3)C

InChI

InChI=1S/C21H18ClN5OS/c1-12-6-8-15(9-7-12)29-11-14-10-18(28)25-21(24-14)27-20-23-13(2)16-4-3-5-17(22)19(16)26-20/h3-10H,11H2,1-2H3,(H2,23,24,25,26,27,28)