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

Systemtic Name: 1-butan-2-yl-6-oxidanyl-2-sulfanylidene-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyrimidin-4-one Openeye Name: 6-hydroxy-1-sec-butyl-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-pyrimidin-4-one CAS Name: 1-butan-2-yl-6-hydroxy-2-sulfanylidene-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-4-pyrimidinone IUPAC Name: 1-butan-2-yl-6-hydroxy-2-sulfanylidene-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyrimidin-4-one Traditional Name: 6-hydroxy-1-sec-butyl-5-(2,3,4,9-tetrahydro-1H-$b-carbolin-1-yl)-2-thioxo-pyrimidin-4-one Formula: C19H22N4O2S MolecularWeight: 370.46858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=C(C(=O)NC1=S)C2C3=C(CCN2)C4=CC=CC=C4N3)O

Isomeric SMILES

CCC(C)N1C(=C(C(=O)NC1=S)C2C3=C(CCN2)C4=CC=CC=C4N3)O

InChI

InChI=1S/C19H22N4O2S/c1-3-10(2)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/h4-7,10,16,20-21,25H,3,8-9H2,1-2H3,(H,22,24,26)