5-bromanyl-N4-(2-methoxyphenyl)-N2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine

Systemtic Name: 5-bromanyl-N4-(2-methoxyphenyl)-N2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine Openeye Name: 5-bromo-N4-(2-methoxyphenyl)-N2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine CAS Name: 5-bromo-N4-(2-methoxyphenyl)-N2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 5-bromo-4-N-(2-methoxyphenyl)-2-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine Traditional Name: [5-bromo-4-(o-anisidino)pyrimidin-2-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]amine Formula: C20H18BrN7O MolecularWeight: 452.30722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC(=NC=C2Br)NC3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

COC1=CC=CC=C1NC2=NC(=NC=C2Br)NC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C20H18BrN7O/c1-29-18-5-3-2-4-17(18)26-19-16(21)10-23-20(27-19)25-15-8-6-14(7-9-15)11-28-13-22-12-24-28/h2-10,12-13H,11H2,1H3,(H2,23,25,26,27)