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

Systemtic Name: 3-[[6-azanylidene-5-(4-methoxyphenyl)-1-methyl-1,2,4-triazin-3-yl]amino]benzoic acid Openeye Name: 3-[[6-imino-5-(4-methoxyphenyl)-1-methyl-1,2,4-triazin-3-yl]amino]benzoic acid CAS Name: 3-[[6-imino-5-(4-methoxyphenyl)-1-methyl-1,2,4-triazin-3-yl]amino]benzoic acid IUPAC Name: 3-[[6-imino-5-(4-methoxyphenyl)-1-methyl-1,2,4-triazin-3-yl]amino]benzoic acid Traditional Name: 3-[[6-imino-5-(4-methoxyphenyl)-1-methyl-1,2,4-triazin-3-yl]amino]benzoic acid Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=N)C(=NC(=N1)NC2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=N)C(=NC(=N1)NC2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H17N5O3/c1-23-16(19)15(11-6-8-14(26-2)9-7-11)21-18(22-23)20-13-5-3-4-12(10-13)17(24)25/h3-10,19H,1-2H3,(H,20,22)(H,24,25)