3-[2-azanyl-4-(2-chloranylpyridin-4-yl)pyrimidin-5-yl]benzoic acid

Systemtic Name: 3-[2-azanyl-4-(2-chloranylpyridin-4-yl)pyrimidin-5-yl]benzoic acid Openeye Name: 3-[2-amino-4-(2-chloro-4-pyridyl)pyrimidin-5-yl]benzoic acid CAS Name: 3-[2-amino-4-(2-chloro-4-pyridinyl)-5-pyrimidinyl]benzoic acid IUPAC Name: 3-[2-amino-4-(2-chloropyridin-4-yl)pyrimidin-5-yl]benzoic acid Traditional Name: 3-[2-amino-4-(2-chloro-4-pyridyl)pyrimidin-5-yl]benzoic acid Formula: C16H11ClN4O2 MolecularWeight: 326.73714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=CN=C(N=C2C3=CC(=NC=C3)Cl)N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=CN=C(N=C2C3=CC(=NC=C3)Cl)N

InChI

InChI=1S/C16H11ClN4O2/c17-13-7-10(4-5-19-13)14-12(8-20-16(18)21-14)9-2-1-3-11(6-9)15(22)23/h1-8H,(H,22,23)(H2,18,20,21)