2-butylsulfanyl-3-(3,4-dimethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 2-butylsulfanyl-3-(3,4-dimethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-butylsulfanyl-3-(3,4-dimethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-(butylthio)-3-(3,4-dimethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-butylsulfanyl-3-(3,4-dimethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(butylthio)-3-(3,4-dimethoxyphenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=O)N1C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C42

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C42

InChI

InChI=1S/C22H23N3O3S/c1-4-5-12-29-22-24-19-15-8-6-7-9-16(15)23-20(19)21(26)25(22)14-10-11-17(27-2)18(13-14)28-3/h6-11,13,23H,4-5,12H2,1-3H3