3-ethyl-6-oxidanylidene-2-sulfanylidene-5-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidin-4-olate

Systemtic Name: 3-ethyl-6-oxidanylidene-2-sulfanylidene-5-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidin-4-olate Openeye Name: 3-ethyl-6-oxo-5-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]-2-thioxo-pyrimidin-4-olate CAS Name: 3-ethyl-6-oxo-2-sulfanylidene-5-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]-4-pyrimidinolate IUPAC Name: 3-ethyl-6-oxo-2-sulfanylidene-5-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidin-4-olate Traditional Name: 3-ethyl-6-keto-5-[(1R)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-olate Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)NC1=S)C2C3=C(CC[NH2+]2)C4=CC=CC=C4N3)[O-]

Isomeric SMILES

CCN1C(=C(C(=O)NC1=S)[C@@H]2C3=C(CC[NH2+]2)C4=CC=CC=C4N3)[O-]

InChI

InChI=1S/C17H18N4O2S/c1-2-21-16(23)12(15(22)20-17(21)24)14-13-10(7-8-18-14)9-5-3-4-6-11(9)19-13/h3-6,14,18-19,23H,2,7-8H2,1H3,(H,20,22,24)/t14-/m1/s1