5H-pyrimido[5,4-b]indole-2,8-dicarboxylic acid

Systemtic Name: 5H-pyrimido[5,4-b]indole-2,8-dicarboxylic acid Openeye Name: 5H-pyrimido[5,4-b]indole-2,8-dicarboxylic acid CAS Name: 5H-pyrimido[5,4-b]indole-2,8-dicarboxylic acid IUPAC Name: 5H-pyrimido[5,4-b]indole-2,8-dicarboxylic acid Traditional Name: 5H-pyrimid[5,4-b]indole-2,8-dicarboxylic acid Formula: C12H7N3O4 MolecularWeight: 257.20168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)C3=NC(=NC=C3N2)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)C3=NC(=NC=C3N2)C(=O)O

InChI

InChI=1S/C12H7N3O4/c16-11(17)5-1-2-7-6(3-5)9-8(14-7)4-13-10(15-9)12(18)19/h1-4,14H,(H,16,17)(H,18,19)