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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-2-(propylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-2-(propylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=O)N1C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C42

Isomeric SMILES

CCCSC1=NC2=C(C(=O)N1C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C42

InChI

InChI=1S/C21H21N3O3S/c1-4-11-28-21-23-18-14-7-5-6-8-15(14)22-19(18)20(25)24(21)13-9-10-16(26-2)17(12-13)27-3/h5-10,12,22H,4,11H2,1-3H3