[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 3,4-diethoxybenzoate

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 3,4-diethoxybenzoate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3C)N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3C)N)OCC

InChI

InChI=1S/C22H25N5O4/c1-4-29-17-11-10-15(12-18(17)30-5-2)20(28)31-13-19-25-21(23)27-22(26-19)24-16-9-7-6-8-14(16)3/h6-12H,4-5,13H2,1-3H3,(H3,23,24,25,26,27)