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

Systemtic Name: 6-[(4-methylphenyl)sulfanylmethyl]-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Openeye Name: 6-(p-tolylsulfanylmethyl)-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one CAS Name: 6-[[(4-methylphenyl)thio]methyl]-2-[(4,6,8-trimethyl-2-quinazolinyl)amino]-1H-pyrimidin-4-one IUPAC Name: 6-[(4-methylphenyl)sulfanylmethyl]-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Traditional Name: 6-[(p-tolylthio)methyl]-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Formula: C23H23N5OS MolecularWeight: 417.52662

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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=C4C(=N3)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5OS/c1-13-5-7-18(8-6-13)30-12-17-11-20(29)26-23(25-17)28-22-24-16(4)19-10-14(2)9-15(3)21(19)27-22/h5-11H,12H2,1-4H3,(H2,24,25,26,27,28,29)