2-[1-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[1-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylethyl]-1H-quinazolin-4-one CAS Name: 2-[1-[(1-cyclohexyl-4,5-dimethyl-2-imidazolyl)thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)thio]ethyl]-1H-quinazolin-4-one Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SC(C)C2=NC(=O)C3=CC=CC=C3N2)C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C(=N1)SC(C)C2=NC(=O)C3=CC=CC=C3N2)C4CCCCC4)C

InChI

InChI=1S/C21H26N4OS/c1-13-14(2)25(16-9-5-4-6-10-16)21(22-13)27-15(3)19-23-18-12-8-7-11-17(18)20(26)24-19/h7-8,11-12,15-16H,4-6,9-10H2,1-3H3,(H,23,24,26)