2-[[3-(2,5-dimethylphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-methyl-ethanamide

Systemtic Name: 2-[[3-(2,5-dimethylphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: 2-[[3-(2,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-methyl-acetamide CAS Name: 2-[[3-(2,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]-N-methylacetamide IUPAC Name: 2-[[3-(2,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-methylacetamide Traditional Name: 2-[[3-(2,5-dimethylphenyl)-4-keto-5H-pyrimid[5,4-b]indol-2-yl]thio]-N-methyl-acetamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC

InChI

InChI=1S/C21H20N4O2S/c1-12-8-9-13(2)16(10-12)25-20(27)19-18(14-6-4-5-7-15(14)23-19)24-21(25)28-11-17(26)22-3/h4-10,23H,11H2,1-3H3,(H,22,26)