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

Systemtic Name: 4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-2-amine Openeye Name: 4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-2-amine CAS Name: 4-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-(1H-1,2,4-triazol-5-ylmethyl)-2-pyrimidinamine IUPAC Name: 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-2-amine Traditional Name: [4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]-(1H-1,2,4-triazol-5-ylmethyl)amine Formula: C18H18N8 MolecularWeight: 346.38912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3=NC(=NC=C3)NCC4=NC=NN4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3=NC(=NC=C3)NCC4=NC=NN4

InChI

InChI=1S/C18H18N8/c1-12-17(13(2)26(25-12)14-6-4-3-5-7-14)15-8-9-19-18(23-15)20-10-16-21-11-22-24-16/h3-9,11H,10H2,1-2H3,(H,19,20,23)(H,21,22,24)