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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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