N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)benzamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)benzamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(2-methyl-4-oxo-quinazolin-3-yl)benzamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-4-(2-methyl-4-oxo-3-quinazolinyl)benzamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-4-(4-keto-2-methyl-quinazolin-3-yl)benzamide Formula: C28H23N5O2S MolecularWeight: 493.57952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C)C

InChI

InChI=1S/C28H23N5O2S/c1-17-16-18(2)30-28(29-17)36-23-14-10-21(11-15-23)32-26(34)20-8-12-22(13-9-20)33-19(3)31-25-7-5-4-6-24(25)27(33)35/h4-16H,1-3H3,(H,32,34)