1-[(8-bromanyl-4-oxidanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]pyrrolidine-3-carboxylic acid

Systemtic Name: 1-[(8-bromanyl-4-oxidanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]pyrrolidine-3-carboxylic acid Openeye Name: 1-[(8-bromo-4-oxo-1H-benzofuro[3,2-d]pyrimidin-2-yl)methyl]pyrrolidine-3-carboxylic acid CAS Name: 1-[(8-bromo-4-oxo-1H-benzofuro[3,2-d]pyrimidin-2-yl)methyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[(8-bromo-4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]pyrrolidine-3-carboxylic acid Traditional Name: 1-[(8-bromo-4-keto-1H-benzofuro[3,2-d]pyrimidin-2-yl)methyl]pyrrolidine-3-carboxylic acid Formula: C16H14BrN3O4 MolecularWeight: 392.20406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C(=O)O)CC2=NC(=O)C3=C(N2)C4=C(O3)C=CC(=C4)Br

Isomeric SMILES

C1CN(CC1C(=O)O)CC2=NC(=O)C3=C(N2)C4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C16H14BrN3O4/c17-9-1-2-11-10(5-9)13-14(24-11)15(21)19-12(18-13)7-20-4-3-8(6-20)16(22)23/h1-2,5,8H,3-4,6-7H2,(H,22,23)(H,18,19,21)