N-[(4-dimethylaminophenyl)methyl]-4-[(3-methylphenyl)amino]quinazoline-2-carboxamide

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-4-[(3-methylphenyl)amino]quinazoline-2-carboxamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-4-(3-methylanilino)quinazoline-2-carboxamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-4-(3-methylanilino)-2-quinazolinecarboxamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-4-(3-methylanilino)quinazoline-2-carboxamide Traditional Name: N-[4-(dimethylamino)benzyl]-4-(m-toluidino)quinazoline-2-carboxamide Formula: C25H25N5O MolecularWeight: 411.4989

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC3=CC=CC=C32)C(=O)NCC4=CC=C(C=C4)N(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC3=CC=CC=C32)C(=O)NCC4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C25H25N5O/c1-17-7-6-8-19(15-17)27-23-21-9-4-5-10-22(21)28-24(29-23)25(31)26-16-18-11-13-20(14-12-18)30(2)3/h4-15H,16H2,1-3H3,(H,26,31)(H,27,28,29)