2-[[3-azanyl-5-(trifluoromethyl)phenyl]amino]-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide

Systemtic Name: 2-[[3-azanyl-5-(trifluoromethyl)phenyl]amino]-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide Openeye Name: 2-[3-amino-5-(trifluoromethyl)anilino]-4-(3-methylanilino)pyrimidine-5-carboxamide CAS Name: 2-[3-amino-5-(trifluoromethyl)anilino]-4-(3-methylanilino)-5-pyrimidinecarboxamide IUPAC Name: 2-[3-amino-5-(trifluoromethyl)anilino]-4-(3-methylanilino)pyrimidine-5-carboxamide Traditional Name: 2-[3-amino-5-(trifluoromethyl)anilino]-4-(m-toluidino)pyrimidine-5-carboxamide Formula: C19H17F3N6O MolecularWeight: 402.37309

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC=C2C(=O)N)NC3=CC(=CC(=C3)N)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC=C2C(=O)N)NC3=CC(=CC(=C3)N)C(F)(F)F

InChI

InChI=1S/C19H17F3N6O/c1-10-3-2-4-13(5-10)26-17-15(16(24)29)9-25-18(28-17)27-14-7-11(19(20,21)22)6-12(23)8-14/h2-9H,23H2,1H3,(H2,24,29)(H2,25,26,27,28)