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

Systemtic Name: methyl 3-[[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanylmethyl]benzoate Openeye Name: methyl 3-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylsulfanylmethyl]benzoate CAS Name: 3-[[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylthio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylsulfanylmethyl]benzoate Traditional Name: 3-[[[4-amino-6-(p-toluidino)-s-triazin-2-yl]methylthio]methyl]benzoic acid 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)CSCC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSCC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C20H21N5O2S/c1-13-6-8-16(9-7-13)22-20-24-17(23-19(21)25-20)12-28-11-14-4-3-5-15(10-14)18(26)27-2/h3-10H,11-12H2,1-2H3,(H3,21,22,23,24,25)