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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl (2R)-2-phenoxybutanoate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic 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 (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC1=NC(=NC(=N1)NC2=CC=CC=C2C)N)OC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C(=O)OCC1=NC(=NC(=N1)NC2=CC=CC=C2C)N)OC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O3/c1-3-17(29-15-10-5-4-6-11-15)19(27)28-13-18-24-20(22)26-21(25-18)23-16-12-8-7-9-14(16)2/h4-12,17H,3,13H2,1-2H3,(H3,22,23,24,25,26)/t17-/m1/s1