4-[1-(3-chlorophenyl)-3-methyl-pyrazol-4-yl]-N-(3-methoxyphenyl)pyrimidin-2-amine

Systemtic Name: 4-[1-(3-chlorophenyl)-3-methyl-pyrazol-4-yl]-N-(3-methoxyphenyl)pyrimidin-2-amine Openeye Name: 4-[1-(3-chlorophenyl)-3-methyl-pyrazol-4-yl]-N-(3-methoxyphenyl)pyrimidin-2-amine CAS Name: 4-[1-(3-chlorophenyl)-3-methyl-4-pyrazolyl]-N-(3-methoxyphenyl)-2-pyrimidinamine IUPAC Name: 4-[1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-N-(3-methoxyphenyl)pyrimidin-2-amine Traditional Name: [4-[1-(3-chlorophenyl)-3-methyl-pyrazol-4-yl]pyrimidin-2-yl]-(3-methoxyphenyl)amine Formula: C21H18ClN5O MolecularWeight: 391.85352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=NC(=NC=C2)NC3=CC(=CC=C3)OC)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=NN(C=C1C2=NC(=NC=C2)NC3=CC(=CC=C3)OC)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H18ClN5O/c1-14-19(13-27(26-14)17-7-3-5-15(22)11-17)20-9-10-23-21(25-20)24-16-6-4-8-18(12-16)28-2/h3-13H,1-2H3,(H,23,24,25)