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

Systemtic Name: 2-[4-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]pyridin-2-yl]-4-ethyl-4,5-dimethyl-pyrazol-3-one Openeye Name: 2-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridyl]-4-ethyl-4,5-dimethyl-pyrazol-3-one CAS Name: 2-[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridinyl]-4-ethyl-4,5-dimethyl-3-pyrazolone IUPAC Name: 2-[4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl]-4-ethyl-4,5-dimethylpyrazol-3-one Traditional Name: 2-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridyl]-4-ethyl-4,5-dimethyl-2-pyrazolin-3-one Formula: C22H21ClN6O MolecularWeight: 420.89474

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=NN(C1=O)C2=NC=CC(=C2)C3=NC(=NC=C3)NC4=CC(=CC=C4)Cl)C)C

Isomeric SMILES

CCC1(C(=NN(C1=O)C2=NC=CC(=C2)C3=NC(=NC=C3)NC4=CC(=CC=C4)Cl)C)C

InChI

InChI=1S/C22H21ClN6O/c1-4-22(3)14(2)28-29(20(22)30)19-12-15(8-10-24-19)18-9-11-25-21(27-18)26-17-7-5-6-16(23)13-17/h5-13H,4H2,1-3H3,(H,25,26,27)