2-[4-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]pyridin-2-yl]-1,5-dimethyl-pyrazol-3-one

Systemtic Name: 2-[4-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]pyridin-2-yl]-1,5-dimethyl-pyrazol-3-one Openeye Name: 2-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridyl]-1,5-dimethyl-pyrazol-3-one CAS Name: 2-[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridinyl]-1,5-dimethyl-3-pyrazolone IUPAC Name: 2-[4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl]-1,5-dimethylpyrazol-3-one Traditional Name: 2-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridyl]-1,5-dimethyl-3-pyrazolin-3-one Formula: C20H17ClN6O MolecularWeight: 392.84158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1C)C2=NC=CC(=C2)C3=NC(=NC=C3)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC(=O)N(N1C)C2=NC=CC(=C2)C3=NC(=NC=C3)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H17ClN6O/c1-13-10-19(28)27(26(13)2)18-11-14(6-8-22-18)17-7-9-23-20(25-17)24-16-5-3-4-15(21)12-16/h3-12H,1-2H3,(H,23,24,25)