1-butyl-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-butyl-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-butyl-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-butyl-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-butyl-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-butyl-6-hydroxy-5-[(1R)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-one Formula: C19H23N4O2S+ MolecularWeight: 371.47652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=S)C2C3=C(CC[NH2+]2)C4=CC=CC=C4N3)O

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=S)[C@@H]2C3=C(CC[NH2+]2)C4=CC=CC=C4N3)O

InChI

InChI=1S/C19H22N4O2S/c1-2-3-10-23-18(25)14(17(24)22-19(23)26)16-15-12(8-9-20-16)11-6-4-5-7-13(11)21-15/h4-7,16,20-21,25H,2-3,8-10H2,1H3,(H,22,24,26)/p+1/t16-/m1/s1