N-(3-methoxyphenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine

Systemtic Name: N-(3-methoxyphenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine Openeye Name: N-(3-methoxyphenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine CAS Name: N-(3-methoxyphenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-2-pyrimidinamine IUPAC Name: N-(3-methoxyphenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine Traditional Name: (3-methoxyphenyl)-[4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-yl]amine Formula: C20H18N6O MolecularWeight: 358.39652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=CC(=N2)C3=CC(=CC=C3)CN4C=NC=N4

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=CC(=N2)C3=CC(=CC=C3)CN4C=NC=N4

InChI

InChI=1S/C20H18N6O/c1-27-18-7-3-6-17(11-18)24-20-22-9-8-19(25-20)16-5-2-4-15(10-16)12-26-14-21-13-23-26/h2-11,13-14H,12H2,1H3,(H,22,24,25)