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

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 3-phenylsulfanylpropanoate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic 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 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O2S/c1-14-7-9-15(10-8-14)22-20-24-17(23-19(21)25-20)13-27-18(26)11-12-28-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H3,21,22,23,24,25)