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

Systemtic Name: 1-heptyl-6-oxidanyl-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyrimidine-2,4-dione Openeye Name: 1-heptyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyrimidine-2,4-dione CAS Name: 1-heptyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyrimidine-2,4-dione IUPAC Name: 1-heptyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyrimidine-2,4-dione Traditional Name: 1-heptyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-$b-carbolin-1-yl)pyrimidine-2,4-quinone Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=C(C(=O)NC1=O)C2C3=C(CCN2)C4=CC=CC=C4N3)O

Isomeric SMILES

CCCCCCCN1C(=C(C(=O)NC1=O)C2C3=C(CCN2)C4=CC=CC=C4N3)O

InChI

InChI=1S/C22H28N4O3/c1-2-3-4-5-8-13-26-21(28)17(20(27)25-22(26)29)19-18-15(11-12-23-19)14-9-6-7-10-16(14)24-18/h6-7,9-10,19,23-24,28H,2-5,8,11-13H2,1H3,(H,25,27,29)