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

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl (3R)-3-phenylbutanoate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic 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 (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O2/c1-14-8-10-17(11-9-14)23-21-25-18(24-20(22)26-21)13-28-19(27)12-15(2)16-6-4-3-5-7-16/h3-11,15H,12-13H2,1-2H3,(H3,22,23,24,25,26)/t15-/m1/s1