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

Systemtic Name: 4-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(3,4-dimethoxyphenyl)pyrimidin-2-amine Openeye Name: 4-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(3,4-dimethoxyphenyl)pyrimidin-2-amine CAS Name: 4-[1-(4-chlorophenyl)-4-pyrazolyl]-N-(3,4-dimethoxyphenyl)-2-pyrimidinamine IUPAC Name: 4-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(3,4-dimethoxyphenyl)pyrimidin-2-amine Traditional Name: [4-[1-(4-chlorophenyl)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=CN(N=C3)C4=CC=C(C=C4)Cl)OC

Isomeric SMILES

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

InChI

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