ditert-butyl 5-[(4-methylphenyl)amino]-6-(4-methylphenyl)imino-3-pyridin-2-yl-3H-1,2,4-triazine-1,2-dicarboxylate

Systemtic Name: ditert-butyl 5-[(4-methylphenyl)amino]-6-(4-methylphenyl)imino-3-pyridin-2-yl-3H-1,2,4-triazine-1,2-dicarboxylate Openeye Name: ditert-butyl 5-(4-methylanilino)-6-(p-tolylimino)-3-(2-pyridyl)-3H-1,2,4-triazine-1,2-dicarboxylate CAS Name: 5-(4-methylanilino)-6-(4-methylphenyl)imino-3-(2-pyridinyl)-3H-1,2,4-triazine-1,2-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 5-(4-methylanilino)-6-(4-methylphenyl)imino-3-pyridin-2-yl-3H-1,2,4-triazine-1,2-dicarboxylate Traditional Name: 5-(p-toluidino)-6-(p-tolylimino)-3-(2-pyridyl)-3H-1,2,4-triazine-1,2-dicarboxylic acid ditert-butyl ester Formula: C32H38N6O4 MolecularWeight: 570.68192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(N(N(C2=NC3=CC=C(C=C3)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(N(N(C2=NC3=CC=C(C=C3)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C4=CC=CC=N4

InChI

InChI=1S/C32H38N6O4/c1-21-12-16-23(17-13-21)34-26-28(35-24-18-14-22(2)15-19-24)38(30(40)42-32(6,7)8)37(29(39)41-31(3,4)5)27(36-26)25-11-9-10-20-33-25/h9-20,27H,1-8H3,(H,34,36)