2-[[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]hexanoic acid

Systemtic Name: 2-[[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]hexanoic acid Openeye Name: 2-[[3-(2-methoxy-5-methyl-phenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]hexanoic acid CAS Name: 2-[[3-(2-methoxy-5-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]hexanoic acid IUPAC Name: 2-[[3-(2-methoxy-5-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]hexanoic acid Traditional Name: 2-[[4-keto-3-(2-methoxy-5-methyl-phenyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]hexanoic acid Formula: C24H25N3O4S MolecularWeight: 451.538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1=NC2=C(C(=O)N1C3=C(C=CC(=C3)C)OC)NC4=CC=CC=C42

Isomeric SMILES

CCCCC(C(=O)O)SC1=NC2=C(C(=O)N1C3=C(C=CC(=C3)C)OC)NC4=CC=CC=C42

InChI

InChI=1S/C24H25N3O4S/c1-4-5-10-19(23(29)30)32-24-26-20-15-8-6-7-9-16(15)25-21(20)22(28)27(24)17-13-14(2)11-12-18(17)31-3/h6-9,11-13,19,25H,4-5,10H2,1-3H3,(H,29,30)