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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(2-methylphenyl)sulfanylethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic 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 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C19H19N5O2S/c1-13-7-5-6-10-15(13)27-12-17(25)26-11-16-22-18(20)24-19(23-16)21-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H3,20,21,22,23,24)