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

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 3-benzamidopropanoate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 3-benzamidopropanoate CAS Name: 3-benzamidopropanoic 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-benzamidopropanoate Traditional Name: 3-benzamidopropionic acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O3/c1-14-7-9-16(10-8-14)24-21-26-17(25-20(22)27-21)13-30-18(28)11-12-23-19(29)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,23,29)(H3,22,24,25,26,27)