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

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 3,4-dimethoxybenzoate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H21N5O4/c1-12-4-7-14(8-5-12)22-20-24-17(23-19(21)25-20)11-29-18(26)13-6-9-15(27-2)16(10-13)28-3/h4-10H,11H2,1-3H3,(H3,21,22,23,24,25)