ethyl 4-[[6-azanylidene-1-methyl-5-(methylsulfonylamino)-1,2,4-triazin-3-yl]amino]benzoate

Systemtic Name: ethyl 4-[[6-azanylidene-1-methyl-5-(methylsulfonylamino)-1,2,4-triazin-3-yl]amino]benzoate Openeye Name: ethyl 4-[[6-imino-5-(methanesulfonamido)-1-methyl-1,2,4-triazin-3-yl]amino]benzoate CAS Name: 4-[[6-imino-5-(methanesulfonamido)-1-methyl-1,2,4-triazin-3-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-imino-5-(methanesulfonamido)-1-methyl-1,2,4-triazin-3-yl]amino]benzoate Traditional Name: 4-[[6-imino-5-(methanesulfonamido)-1-methyl-1,2,4-triazin-3-yl]amino]benzoic acid ethyl ester Formula: C14H18N6O4S MolecularWeight: 366.39552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NN(C(=N)C(=N2)NS(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NN(C(=N)C(=N2)NS(=O)(=O)C)C

InChI

InChI=1S/C14H18N6O4S/c1-4-24-13(21)9-5-7-10(8-6-9)16-14-17-12(19-25(3,22)23)11(15)20(2)18-14/h5-8,15H,4H2,1-3H3,(H2,16,17,18,19)