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

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C16H17N7O2S MolecularWeight: 371.41688

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)COC(=O)CSC2=NC3=CC=CC=C3N=C2

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)COC(=O)CSC2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C16H17N7O2S/c1-23(2)16-21-12(20-15(17)22-16)8-25-14(24)9-26-13-7-18-10-5-3-4-6-11(10)19-13/h3-7H,8-9H2,1-2H3,(H2,17,20,21,22)