1-[4-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]pyridin-2-yl]-2,3-dimethyl-5-oxidanylidene-pyrazole-4-carbaldehyde

Systemtic Name: 1-[4-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]pyridin-2-yl]-2,3-dimethyl-5-oxidanylidene-pyrazole-4-carbaldehyde Openeye Name: 1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridyl]-2,3-dimethyl-5-oxo-pyrazole-4-carbaldehyde CAS Name: 1-[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridinyl]-2,3-dimethyl-5-oxo-4-pyrazolecarboxaldehyde IUPAC Name: 1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl]-2,3-dimethyl-5-oxopyrazole-4-carbaldehyde Traditional Name: 1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridyl]-5-keto-2,3-dimethyl-3-pyrazoline-4-carbaldehyde Formula: C21H17ClN6O2 MolecularWeight: 420.85168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN6O2/c1-13-17(12-29)20(30)28(27(13)2)19-10-14(6-8-23-19)18-7-9-24-21(26-18)25-16-5-3-4-15(22)11-16/h3-12H,1-2H3,(H,24,25,26)