8-methoxy-3-(6-oxidanyl-6-oxidanylidene-hexyl)-2-sulfanylidene-5H-pyrimido[5,4-b]indol-4-olate

Systemtic Name: 8-methoxy-3-(6-oxidanyl-6-oxidanylidene-hexyl)-2-sulfanylidene-5H-pyrimido[5,4-b]indol-4-olate Openeye Name: 3-(6-hydroxy-6-oxo-hexyl)-8-methoxy-2-thioxo-5H-pyrimido[5,4-b]indol-4-olate CAS Name: 3-(6-hydroxy-6-oxohexyl)-8-methoxy-2-sulfanylidene-5H-pyrimido[5,4-b]indol-4-olate IUPAC Name: 3-(6-hydroxy-6-oxohexyl)-8-methoxy-2-sulfanylidene-5H-pyrimido[5,4-b]indol-4-olate Traditional Name: 3-(6-hydroxy-6-keto-hexyl)-8-methoxy-2-thioxo-5H-pyrimid[5,4-b]indol-4-olate Formula: C17H18N3O4S- MolecularWeight: 360.40752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C(N(C(=S)N=C23)CCCCCC(=O)O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C(N(C(=S)N=C23)CCCCCC(=O)O)[O-]

InChI

InChI=1S/C17H19N3O4S/c1-24-10-6-7-12-11(9-10)14-15(18-12)16(23)20(17(25)19-14)8-4-2-3-5-13(21)22/h6-7,9,18,23H,2-5,8H2,1H3,(H,21,22)/p-1