3-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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-cyclopropyl-6-keto-5-[(1R)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-olate Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C(C(=O)NC2=S)C3C4=C(CC[NH2+]3)C5=CC=CC=C5N4)[O-]

Isomeric SMILES

C1CC1N2C(=C(C(=O)NC2=S)[C@@H]3C4=C(CC[NH2+]3)C5=CC=CC=C5N4)[O-]

InChI

InChI=1S/C18H18N4O2S/c23-16-13(17(24)22(9-5-6-9)18(25)21-16)15-14-11(7-8-19-15)10-3-1-2-4-12(10)20-14/h1-4,9,15,19-20,24H,5-8H2,(H,21,23,25)/t15-/m1/s1