1-hexyl-6-oxidanyl-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyrimidine-2,4-dione

Systemtic Name: 1-hexyl-6-oxidanyl-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyrimidine-2,4-dione Openeye Name: 1-hexyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyrimidine-2,4-dione CAS Name: 1-hexyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyrimidine-2,4-dione IUPAC Name: 1-hexyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyrimidine-2,4-dione Traditional Name: 1-hexyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-$b-carbolin-1-yl)pyrimidine-2,4-quinone Formula: C21H26N4O3 MolecularWeight: 382.45614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(C(=O)NC1=O)C2C3=C(CCN2)C4=CC=CC=C4N3)O

Isomeric SMILES

CCCCCCN1C(=C(C(=O)NC1=O)C2C3=C(CCN2)C4=CC=CC=C4N3)O

InChI

InChI=1S/C21H26N4O3/c1-2-3-4-7-12-25-20(27)16(19(26)24-21(25)28)18-17-14(10-11-22-18)13-8-5-6-9-15(13)23-17/h5-6,8-9,18,22-23,27H,2-4,7,10-12H2,1H3,(H,24,26,28)