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

Systemtic Name: 6-oxidanylidene-3-phenethyl-2-sulfanylidene-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl)pyrimidin-4-olate Openeye Name: 6-oxo-3-phenethyl-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl)-2-thioxo-pyrimidin-4-olate CAS Name: 6-oxo-3-phenethyl-2-sulfanylidene-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl)-4-pyrimidinolate IUPAC Name: 6-oxo-3-phenethyl-2-sulfanylidene-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl)pyrimidin-4-olate Traditional Name: 6-keto-3-phenethyl-5-(2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-1-yl)-2-thioxo-pyrimidin-4-olate Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]C(C2=C1C3=CC=CC=C3N2)C4=C(N(C(=S)NC4=O)CCC5=CC=CC=C5)[O-]

Isomeric SMILES

C1C[NH2+]C(C2=C1C3=CC=CC=C3N2)C4=C(N(C(=S)NC4=O)CCC5=CC=CC=C5)[O-]

InChI

InChI=1S/C23H22N4O2S/c28-21-18(20-19-16(10-12-24-20)15-8-4-5-9-17(15)25-19)22(29)27(23(30)26-21)13-11-14-6-2-1-3-7-14/h1-9,20,24-25,29H,10-13H2,(H,26,28,30)