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

Systemtic Name: 8-methylsulfanyl-5H-pyrimido[5,4-b]indole-2-carboxylic acid Openeye Name: 8-methylsulfanyl-5H-pyrimido[5,4-b]indole-2-carboxylic acid CAS Name: 8-(methylthio)-5H-pyrimido[5,4-b]indole-2-carboxylic acid IUPAC Name: 8-methylsulfanyl-5H-pyrimido[5,4-b]indole-2-carboxylic acid Traditional Name: 8-(methylthio)-5H-pyrimid[5,4-b]indole-2-carboxylic acid Formula: C12H9N3O2S MolecularWeight: 259.28376

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)NC3=CN=C(N=C23)C(=O)O

Isomeric SMILES

CSC1=CC2=C(C=C1)NC3=CN=C(N=C23)C(=O)O

InChI

InChI=1S/C12H9N3O2S/c1-18-6-2-3-8-7(4-6)10-9(14-8)5-13-11(15-10)12(16)17/h2-5,14H,1H3,(H,16,17)