N-[4-[[5-azanyl-6-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[5-azanyl-6-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[5-amino-6-(3,5-dimethylanilino)-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide Formula: C20H22N6O MolecularWeight: 362.42828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=NC(=C2N)NC3=CC=C(C=C3)NC(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=NC(=C2N)NC3=CC=C(C=C3)NC(=O)C)C

InChI

InChI=1S/C20H22N6O/c1-12-8-13(2)10-17(9-12)26-20-18(21)19(22-11-23-20)25-16-6-4-15(5-7-16)24-14(3)27/h4-11H,21H2,1-3H3,(H,24,27)(H2,22,23,25,26)