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

Systemtic Name: 4-[4-[(5-azanyl-6-chloranyl-pyrimidin-4-yl)amino]butanoylamino]benzoic acid Openeye Name: 4-[4-[(5-amino-6-chloro-pyrimidin-4-yl)amino]butanoylamino]benzoic acid CAS Name: 4-[[4-[(5-amino-6-chloro-4-pyrimidinyl)amino]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[4-[(5-amino-6-chloropyrimidin-4-yl)amino]butanoylamino]benzoic acid Traditional Name: 4-[4-[(5-amino-6-chloro-pyrimidin-4-yl)amino]butanoylamino]benzoic acid Formula: C15H16ClN5O3 MolecularWeight: 349.77224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN5O3/c16-13-12(17)14(20-8-19-13)18-7-1-2-11(22)21-10-5-3-9(4-6-10)15(23)24/h3-6,8H,1-2,7,17H2,(H,21,22)(H,23,24)(H,18,19,20)