4-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]butanoate

Systemtic Name: 4-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]butanoate Openeye Name: 4-[(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino]butanoate CAS Name: 4-[(2-phenyl-4-benzofuro[3,2-d]pyrimidinyl)amino]butanoate IUPAC Name: 4-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]butanoate Traditional Name: 4-[(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino]butyrate Formula: C20H16N3O3- MolecularWeight: 346.35934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C(=N2)NCCCC(=O)[O-])OC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C(=N2)NCCCC(=O)[O-])OC4=CC=CC=C43

InChI

InChI=1S/C20H17N3O3/c24-16(25)11-6-12-21-20-18-17(14-9-4-5-10-15(14)26-18)22-19(23-20)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,24,25)(H,21,22,23)/p-1