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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3C)N

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3C)N

InChI

InChI=1S/C21H23N5O2/c1-3-16(15-10-5-4-6-11-15)19(27)28-13-18-24-20(22)26-21(25-18)23-17-12-8-7-9-14(17)2/h4-12,16H,3,13H2,1-2H3,(H3,22,23,24,25,26)