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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=NN(C1=O)C2=NC=CC(=C2)C3=NC(=NC=C3)NC4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1(C=NN(C1=O)C2=NC=CC(=C2)C3=NC(=NC=C3)NC4=CC(=CC=C4)Cl)C

InChI

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