2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[[1-(2,5-dimethylphenyl)-2-imidazolyl]thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[[1-(2,5-dimethylphenyl)imidazol-2-yl]thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C22H22N4O3S MolecularWeight: 422.50008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=CN=C2SCC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=CN=C2SCC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC

InChI

InChI=1S/C22H22N4O3S/c1-13-5-6-14(2)17(9-13)26-8-7-23-22(26)30-12-20-24-16-11-19(29-4)18(28-3)10-15(16)21(27)25-20/h5-11H,12H2,1-4H3,(H,24,25,27)