(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid (4-amino-6-anilino-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)SCCC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

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