N-[3-[[4-[(3-methylphenyl)amino]pyrimidin-2-yl]amino]phenyl]prop-2-enamide

Systemtic Name: N-[3-[[4-[(3-methylphenyl)amino]pyrimidin-2-yl]amino]phenyl]prop-2-enamide Openeye Name: N-[3-[[4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide CAS Name: N-[3-[[4-(3-methylanilino)-2-pyrimidinyl]amino]phenyl]-2-propenamide IUPAC Name: N-[3-[[4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide Traditional Name: N-[3-[[4-(m-toluidino)pyrimidin-2-yl]amino]phenyl]acrylamide Formula: C20H19N5O MolecularWeight: 345.39776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC=C2)NC3=CC(=CC=C3)NC(=O)C=C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC=C2)NC3=CC(=CC=C3)NC(=O)C=C

InChI

InChI=1S/C20H19N5O/c1-3-19(26)23-16-8-5-9-17(13-16)24-20-21-11-10-18(25-20)22-15-7-4-6-14(2)12-15/h3-13H,1H2,2H3,(H,23,26)(H2,21,22,24,25)