1-cyclohexyl-6-oxidanyl-2-sulfanylidene-5-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidin-4-one

Systemtic Name: 1-cyclohexyl-6-oxidanyl-2-sulfanylidene-5-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidin-4-one Openeye Name: 1-cyclohexyl-6-hydroxy-5-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]-2-thioxo-pyrimidin-4-one CAS Name: 1-cyclohexyl-6-hydroxy-2-sulfanylidene-5-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]-4-pyrimidinone IUPAC Name: 1-cyclohexyl-6-hydroxy-2-sulfanylidene-5-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidin-4-one Traditional Name: 1-cyclohexyl-6-hydroxy-5-[(1S)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-one Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=C(C(=O)NC2=S)C3C4=C(CC[NH2+]3)C5=CC=CC=C5N4)O

Isomeric SMILES

C1CCC(CC1)N2C(=C(C(=O)NC2=S)[C@H]3C4=C(CC[NH2+]3)C5=CC=CC=C5N4)O

InChI

InChI=1S/C21H24N4O2S/c26-19-16(20(27)25(21(28)24-19)12-6-2-1-3-7-12)18-17-14(10-11-22-18)13-8-4-5-9-15(13)23-17/h4-5,8-9,12,18,22-23,27H,1-3,6-7,10-11H2,(H,24,26,28)/p+1/t18-/m0/s1