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

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 2-phenylsulfanylethanoate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic 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 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CSC3=CC=CC=C3

InChI

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