4-[[6-azanylidene-1-methyl-5-(4-methylphenyl)-1,2,4-triazin-3-yl]amino]benzoic acid

Systemtic Name: 4-[[6-azanylidene-1-methyl-5-(4-methylphenyl)-1,2,4-triazin-3-yl]amino]benzoic acid Openeye Name: 4-[[6-imino-1-methyl-5-(p-tolyl)-1,2,4-triazin-3-yl]amino]benzoic acid CAS Name: 4-[[6-imino-1-methyl-5-(4-methylphenyl)-1,2,4-triazin-3-yl]amino]benzoic acid IUPAC Name: 4-[[6-imino-1-methyl-5-(4-methylphenyl)-1,2,4-triazin-3-yl]amino]benzoic acid Traditional Name: 4-[[6-imino-1-methyl-5-(p-tolyl)-1,2,4-triazin-3-yl]amino]benzoic acid Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN(C2=N)C)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN(C2=N)C)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H17N5O2/c1-11-3-5-12(6-4-11)15-16(19)23(2)22-18(21-15)20-14-9-7-13(8-10-14)17(24)25/h3-10,19H,1-2H3,(H,20,22)(H,24,25)