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

Systemtic Name: 2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-6-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-6-(p-tolylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[(6-methoxy-4-methyl-2-quinazolinyl)amino]-6-[[(4-methylphenyl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-6-[(p-tolylthio)methyl]-1H-pyrimidin-4-one Formula: C22H21N5O2S MolecularWeight: 419.49944

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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=C(C=C4)OC)C(=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)NC3=NC4=C(C=C(C=C4)OC)C(=N3)C

InChI

InChI=1S/C22H21N5O2S/c1-13-4-7-17(8-5-13)30-12-15-10-20(28)26-22(24-15)27-21-23-14(2)18-11-16(29-3)6-9-19(18)25-21/h4-11H,12H2,1-3H3,(H2,23,24,25,26,27,28)