6-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]hexanoate

Systemtic Name: 6-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]hexanoate Openeye Name: 6-[(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino]hexanoate CAS Name: 6-[(2-phenyl-4-benzofuro[3,2-d]pyrimidinyl)amino]hexanoate IUPAC Name: 6-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]hexanoate Traditional Name: 6-[(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino]hexanoate Formula: C22H20N3O3- MolecularWeight: 374.4125

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3/c26-18(27)13-5-2-8-14-23-22-20-19(16-11-6-7-12-17(16)28-20)24-21(25-22)15-9-3-1-4-10-15/h1,3-4,6-7,9-12H,2,5,8,13-14H2,(H,26,27)(H,23,24,25)/p-1