8-azanyl-9-bromanyl-5H-pyrimido[5,4-b]indole-2-carboxylic acid

Systemtic Name: 8-azanyl-9-bromanyl-5H-pyrimido[5,4-b]indole-2-carboxylic acid Openeye Name: 8-amino-9-bromo-5H-pyrimido[5,4-b]indole-2-carboxylic acid CAS Name: 8-amino-9-bromo-5H-pyrimido[5,4-b]indole-2-carboxylic acid IUPAC Name: 8-amino-9-bromo-5H-pyrimido[5,4-b]indole-2-carboxylic acid Traditional Name: 8-amino-9-bromo-5H-pyrimid[5,4-b]indole-2-carboxylic acid Formula: C11H7BrN4O2 MolecularWeight: 307.10288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1N)Br)C3=NC(=NC=C3N2)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1N)Br)C3=NC(=NC=C3N2)C(=O)O

InChI

InChI=1S/C11H7BrN4O2/c12-8-4(13)1-2-5-7(8)9-6(15-5)3-14-10(16-9)11(17)18/h1-3,15H,13H2,(H,17,18)