4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-(3,4-dimethoxyphenyl)pyrimidin-2-amine

Systemtic Name: 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-(3,4-dimethoxyphenyl)pyrimidin-2-amine Openeye Name: 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-(3,4-dimethoxyphenyl)pyrimidin-2-amine CAS Name: 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-(3,4-dimethoxyphenyl)-2-pyrimidinamine IUPAC Name: 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-(3,4-dimethoxyphenyl)pyrimidin-2-amine Traditional Name: [4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]-(3,4-dimethoxyphenyl)amine Formula: C21H18ClN5O2 MolecularWeight: 407.85292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC=CC(=N2)C3=C(NN=C3)C4=CC=C(C=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC=CC(=N2)C3=C(NN=C3)C4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C21H18ClN5O2/c1-28-18-8-7-15(11-19(18)29-2)25-21-23-10-9-17(26-21)16-12-24-27-20(16)13-3-5-14(22)6-4-13/h3-12H,1-2H3,(H,24,27)(H,23,25,26)