2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thio]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[(7,8-dimethoxy-5H-pyrimid[5,4-b]indol-4-yl)thio]-N-[3-(methylthio)phenyl]acetamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)SCC(=O)NC4=CC(=CC=C4)SC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)SCC(=O)NC4=CC(=CC=C4)SC)OC

InChI

InChI=1S/C21H20N4O3S2/c1-27-16-8-14-15(9-17(16)28-2)25-20-19(14)22-11-23-21(20)30-10-18(26)24-12-5-4-6-13(7-12)29-3/h4-9,11,25H,10H2,1-3H3,(H,24,26)