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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl (2S)-2-benzamido-3-phenyl-propanoate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl (2S)-2-benzamido-3-phenyl-propanoate CAS Name: (2S)-2-benzamido-3-phenylpropanoic 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 (2S)-2-benzamido-3-phenylpropanoate Traditional Name: (2S)-2-benzamido-3-phenyl-propionic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C27H26N6O3 MolecularWeight: 482.53374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H26N6O3/c1-18-10-8-9-15-21(18)30-27-32-23(31-26(28)33-27)17-36-25(35)22(16-19-11-4-2-5-12-19)29-24(34)20-13-6-3-7-14-20/h2-15,22H,16-17H2,1H3,(H,29,34)(H3,28,30,31,32,33)/t22-/m0/s1