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

Systemtic Name: 5-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]-6-oxidanyl-1-phenethyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 6-hydroxy-5-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]-1-phenethyl-2-thioxo-pyrimidin-4-one CAS Name: 6-hydroxy-5-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]-1-phenethyl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 6-hydroxy-5-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]-1-phenethyl-2-sulfanylidenepyrimidin-4-one Traditional Name: 6-hydroxy-5-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-1-yl]-1-phenethyl-2-thioxo-pyrimidin-4-one Formula: C24H25N4O3S+ MolecularWeight: 449.5453

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2CC[NH2+]C3C4=C(N(C(=S)NC4=O)CCC5=CC=CC=C5)O

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2CC[NH2+][C@H]3C4=C(N(C(=S)NC4=O)CCC5=CC=CC=C5)O

InChI

InChI=1S/C24H24N4O3S/c1-31-15-7-8-18-17(13-15)16-9-11-25-21(20(16)26-18)19-22(29)27-24(32)28(23(19)30)12-10-14-5-3-2-4-6-14/h2-8,13,21,25-26,30H,9-12H2,1H3,(H,27,29,32)/p+1/t21-/m0/s1