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

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl (2S)-2-benzamidopropanoate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl (2S)-2-benzamidopropanoate CAS Name: (2S)-2-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 (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-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)C(C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)[C@H](C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N6O3/c1-13-8-10-16(11-9-13)24-21-26-17(25-20(22)27-21)12-30-19(29)14(2)23-18(28)15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H,23,28)(H3,22,24,25,26,27)/t14-/m0/s1