3-[3-[(2-azanyl-6-chloranyl-pyrimidin-4-yl)amino]propanoylamino]benzoic acid

Systemtic Name: 3-[3-[(2-azanyl-6-chloranyl-pyrimidin-4-yl)amino]propanoylamino]benzoic acid Openeye Name: 3-[3-[(2-amino-6-chloro-pyrimidin-4-yl)amino]propanoylamino]benzoic acid CAS Name: 3-[[3-[(2-amino-6-chloro-4-pyrimidinyl)amino]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[3-[(2-amino-6-chloropyrimidin-4-yl)amino]propanoylamino]benzoic acid Traditional Name: 3-[3-[(2-amino-6-chloro-pyrimidin-4-yl)amino]propanoylamino]benzoic acid Formula: C14H14ClN5O3 MolecularWeight: 335.74566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN5O3/c15-10-7-11(20-14(16)19-10)17-5-4-12(21)18-9-3-1-2-8(6-9)13(22)23/h1-3,6-7H,4-5H2,(H,18,21)(H,22,23)(H3,16,17,19,20)