ethyl 4-[[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methylamino]benzoate

Systemtic Name: ethyl 4-[[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methylamino]benzoate Openeye Name: ethyl 4-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylamino]benzoate CAS Name: 4-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylamino]benzoate Traditional Name: 4-[[4-amino-6-(o-toluidino)-s-triazin-2-yl]methylamino]benzoic acid ethyl ester Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCC2=NC(=NC(=N2)NC3=CC=CC=C3C)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCC2=NC(=NC(=N2)NC3=CC=CC=C3C)N

InChI

InChI=1S/C20H22N6O2/c1-3-28-18(27)14-8-10-15(11-9-14)22-12-17-24-19(21)26-20(25-17)23-16-7-5-4-6-13(16)2/h4-11,22H,3,12H2,1-2H3,(H3,21,23,24,25,26)