1-[4-[[5-azanyl-6-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[4-[[5-azanyl-6-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[5-amino-6-(3,5-dimethylanilino)-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]ethanone Formula: C20H21N5O MolecularWeight: 347.41364

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)C(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O/c1-12-8-13(2)10-17(9-12)25-20-18(21)19(22-11-23-20)24-16-6-4-15(5-7-16)14(3)26/h4-11H,21H2,1-3H3,(H2,22,23,24,25)