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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C21H19N7O2S MolecularWeight: 433.48626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)CSC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)CSC3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H19N7O2S/c1-13-6-2-3-7-14(13)25-21-27-17(26-20(22)28-21)11-30-19(29)12-31-18-10-23-15-8-4-5-9-16(15)24-18/h2-10H,11-12H2,1H3,(H3,22,25,26,27,28)