3-[3-[(5-azanyl-6-chloranyl-pyrimidin-4-yl)amino]propanoylamino]benzoic acid

Systemtic Name: 3-[3-[(5-azanyl-6-chloranyl-pyrimidin-4-yl)amino]propanoylamino]benzoic acid Openeye Name: 3-[3-[(5-amino-6-chloro-pyrimidin-4-yl)amino]propanoylamino]benzoic acid CAS Name: 3-[[3-[(5-amino-6-chloro-4-pyrimidinyl)amino]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[3-[(5-amino-6-chloropyrimidin-4-yl)amino]propanoylamino]benzoic acid Traditional Name: 3-[3-[(5-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=C(C(=NC=N2)Cl)N)C(=O)O

Isomeric SMILES

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

InChI

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