4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine

Systemtic Name: 4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine Openeye Name: 4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(3-pyridylmethyl)pyrimidin-2-amine CAS Name: 4-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-(3-pyridinylmethyl)-2-pyrimidinamine IUPAC Name: 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine Traditional Name: [4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]-(3-pyridylmethyl)amine Formula: C21H20N6 MolecularWeight: 356.4237

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3=NC(=NC=C3)NCC4=CN=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3=NC(=NC=C3)NCC4=CN=CC=C4

InChI

InChI=1S/C21H20N6/c1-15-20(16(2)27(26-15)18-8-4-3-5-9-18)19-10-12-23-21(25-19)24-14-17-7-6-11-22-13-17/h3-13H,14H2,1-2H3,(H,23,24,25)