4-[2-[(5-chloranyl-6-ethyl-pyrimidin-4-yl)amino]ethyl]benzoic acid

Systemtic Name: 4-[2-[(5-chloranyl-6-ethyl-pyrimidin-4-yl)amino]ethyl]benzoic acid Openeye Name: 4-[2-[(5-chloro-6-ethyl-pyrimidin-4-yl)amino]ethyl]benzoic acid CAS Name: 4-[2-[(5-chloro-6-ethyl-4-pyrimidinyl)amino]ethyl]benzoic acid IUPAC Name: 4-[2-[(5-chloro-6-ethylpyrimidin-4-yl)amino]ethyl]benzoic acid Traditional Name: 4-[2-[(5-chloro-6-ethyl-pyrimidin-4-yl)amino]ethyl]benzoic acid Formula: C15H16ClN3O2 MolecularWeight: 305.75944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC=N1)NCCC2=CC=C(C=C2)C(=O)O)Cl

Isomeric SMILES

CCC1=C(C(=NC=N1)NCCC2=CC=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C15H16ClN3O2/c1-2-12-13(16)14(19-9-18-12)17-8-7-10-3-5-11(6-4-10)15(20)21/h3-6,9H,2,7-8H2,1H3,(H,20,21)(H,17,18,19)