(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic 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-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H19N7O2S MolecularWeight: 433.48626

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

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