4-(azepan-1-yl)-[1]benzofuro[3,2-d]pyrimidine-2-carboxylic acid

Systemtic Name: 4-(azepan-1-yl)-[1]benzofuro[3,2-d]pyrimidine-2-carboxylic acid Openeye Name: 4-(azepan-1-yl)benzofuro[3,2-d]pyrimidine-2-carboxylic acid CAS Name: 4-(1-azepanyl)-2-benzofuro[3,2-d]pyrimidinecarboxylic acid IUPAC Name: 4-(azepan-1-yl)-[1]benzofuro[3,2-d]pyrimidine-2-carboxylic acid Traditional Name: 4-(azepan-1-yl)benzofuro[3,2-d]pyrimidine-2-carboxylic acid Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC3=C2OC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC3=C2OC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C17H17N3O3/c21-17(22)15-18-13-11-7-3-4-8-12(11)23-14(13)16(19-15)20-9-5-1-2-6-10-20/h3-4,7-8H,1-2,5-6,9-10H2,(H,21,22)