3-[3-[(6-chloranylpyrimidin-4-yl)amino]propanoylamino]benzoic acid

Systemtic Name: 3-[3-[(6-chloranylpyrimidin-4-yl)amino]propanoylamino]benzoic acid Openeye Name: 3-[3-[(6-chloropyrimidin-4-yl)amino]propanoylamino]benzoic acid CAS Name: 3-[[3-[(6-chloro-4-pyrimidinyl)amino]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[3-[(6-chloropyrimidin-4-yl)amino]propanoylamino]benzoic acid Traditional Name: 3-[3-[(6-chloropyrimidin-4-yl)amino]propanoylamino]benzoic acid Formula: C14H13ClN4O3 MolecularWeight: 320.73102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCNC2=CC(=NC=N2)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCNC2=CC(=NC=N2)Cl)C(=O)O

InChI

InChI=1S/C14H13ClN4O3/c15-11-7-12(18-8-17-11)16-5-4-13(20)19-10-3-1-2-9(6-10)14(21)22/h1-3,6-8H,4-5H2,(H,19,20)(H,21,22)(H,16,17,18)