4-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]butanoic acid

Systemtic Name: 4-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]butanoic acid Openeye Name: 4-[(2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)amino]butanoic acid CAS Name: 4-[(2-ethyl-4-benzofuro[3,2-d]pyrimidinyl)amino]butanoic acid IUPAC Name: 4-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]butanoic acid Traditional Name: 4-[(2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)amino]butyric acid Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)NCCCC(=O)O)OC3=CC=CC=C32

Isomeric SMILES

CCC1=NC2=C(C(=N1)NCCCC(=O)O)OC3=CC=CC=C32

InChI

InChI=1S/C16H17N3O3/c1-2-12-18-14-10-6-3-4-7-11(10)22-15(14)16(19-12)17-9-5-8-13(20)21/h3-4,6-7H,2,5,8-9H2,1H3,(H,20,21)(H,17,18,19)