1-ethyl-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-ethyl-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-ethyl-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-ethyl-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-ethyl-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-ethyl-6-hydroxy-5-[(1S)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-one Formula: C17H19N4O2S+ MolecularWeight: 343.42336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)NC1=S)C2C3=C(CC[NH2+]2)C4=CC=CC=C4N3)O

Isomeric SMILES

CCN1C(=C(C(=O)NC1=S)[C@H]2C3=C(CC[NH2+]2)C4=CC=CC=C4N3)O

InChI

InChI=1S/C17H18N4O2S/c1-2-21-16(23)12(15(22)20-17(21)24)14-13-10(7-8-18-14)9-5-3-4-6-11(9)19-13/h3-6,14,18-19,23H,2,7-8H2,1H3,(H,20,22,24)/p+1/t14-/m0/s1