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

Systemtic Name: 4-[4-[(6-chloranylpyrimidin-4-yl)amino]butanoylamino]benzoic acid Openeye Name: 4-[4-[(6-chloropyrimidin-4-yl)amino]butanoylamino]benzoic acid CAS Name: 4-[[4-[(6-chloro-4-pyrimidinyl)amino]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[4-[(6-chloropyrimidin-4-yl)amino]butanoylamino]benzoic acid Traditional Name: 4-[4-[(6-chloropyrimidin-4-yl)amino]butanoylamino]benzoic acid Formula: C15H15ClN4O3 MolecularWeight: 334.7576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)CCCNC2=CC(=NC=N2)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)CCCNC2=CC(=NC=N2)Cl

InChI

InChI=1S/C15H15ClN4O3/c16-12-8-13(19-9-18-12)17-7-1-2-14(21)20-11-5-3-10(4-6-11)15(22)23/h3-6,8-9H,1-2,7H2,(H,20,21)(H,22,23)(H,17,18,19)