4-[[4-phenylazanyl-5-(4H-1,2,3-triazol-4-yl)pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[4-phenylazanyl-5-(4H-1,2,3-triazol-4-yl)pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[4-anilino-5-(4H-triazol-4-yl)pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[4-anilino-5-(4H-triazol-4-yl)-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[4-anilino-5-(4H-triazol-4-yl)pyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[4-anilino-5-(4H-triazol-4-yl)pyrimidin-2-yl]amino]benzoic acid Formula: C19H15N7O2 MolecularWeight: 373.3681

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC=C2C3C=NN=N3)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC=C2C3C=NN=N3)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C19H15N7O2/c27-18(28)12-6-8-14(9-7-12)23-19-20-10-15(16-11-21-26-25-16)17(24-19)22-13-4-2-1-3-5-13/h1-11,16H,(H,27,28)(H2,20,22,23,24)