N4-(5-phenyl-1H-1,2,4-triazol-3-yl)-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

Systemtic Name: N4-(5-phenyl-1H-1,2,4-triazol-3-yl)-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine Openeye Name: N4-(5-phenyl-1H-1,2,4-triazol-3-yl)-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine CAS Name: N4-(5-phenyl-1H-1,2,4-triazol-3-yl)-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine Traditional Name: (5-phenyl-1H-1,2,4-triazol-3-yl)-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amine Formula: C21H21N7O3 MolecularWeight: 419.43654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)NC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)NC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N7O3/c1-29-15-11-14(12-16(30-2)18(15)31-3)23-20-22-10-9-17(24-20)25-21-26-19(27-28-21)13-7-5-4-6-8-13/h4-12H,1-3H3,(H3,22,23,24,25,26,27,28)