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

Systemtic Name: 1-(2,5-dimethoxyphenyl)-6-oxidanyl-2-sulfanylidene-5-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidin-4-one Openeye Name: 1-(2,5-dimethoxyphenyl)-6-hydroxy-5-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]-2-thioxo-pyrimidin-4-one CAS Name: 1-(2,5-dimethoxyphenyl)-6-hydroxy-2-sulfanylidene-5-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]-4-pyrimidinone IUPAC Name: 1-(2,5-dimethoxyphenyl)-6-hydroxy-2-sulfanylidene-5-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidin-4-one Traditional Name: 1-(2,5-dimethoxyphenyl)-6-hydroxy-5-[(1R)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-one Formula: C23H23N4O4S+ MolecularWeight: 451.51812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=C(C(=O)NC2=S)C3C4=C(CC[NH2+]3)C5=CC=CC=C5N4)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=C(C(=O)NC2=S)[C@@H]3C4=C(CC[NH2+]3)C5=CC=CC=C5N4)O

InChI

InChI=1S/C23H22N4O4S/c1-30-12-7-8-17(31-2)16(11-12)27-22(29)18(21(28)26-23(27)32)20-19-14(9-10-24-20)13-5-3-4-6-15(13)25-19/h3-8,11,20,24-25,29H,9-10H2,1-2H3,(H,26,28,32)/p+1/t20-/m1/s1