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

Systemtic Name: N4-(2-methoxyphenyl)-5-pyrimidin-5-yl-N2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine Openeye Name: N4-(2-methoxyphenyl)-5-pyrimidin-5-yl-N2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine CAS Name: N4-(2-methoxyphenyl)-5-(5-pyrimidinyl)-N2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-(2-methoxyphenyl)-5-pyrimidin-5-yl-2-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine Traditional Name: (2-methoxyphenyl)-[5-(5-pyrimidyl)-2-[4-(1,2,4-triazol-1-ylmethyl)anilino]pyrimidin-4-yl]amine Formula: C24H21N9O MolecularWeight: 451.48324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC(=NC=C2C3=CN=CN=C3)NC4=CC=C(C=C4)CN5C=NC=N5

Isomeric SMILES

COC1=CC=CC=C1NC2=NC(=NC=C2C3=CN=CN=C3)NC4=CC=C(C=C4)CN5C=NC=N5

InChI

InChI=1S/C24H21N9O/c1-34-22-5-3-2-4-21(22)31-23-20(18-10-25-14-26-11-18)12-28-24(32-23)30-19-8-6-17(7-9-19)13-33-16-27-15-29-33/h2-12,14-16H,13H2,1H3,(H2,28,30,31,32)