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

Systemtic Name: 6,7-dimethoxy-2-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[(1-phenyl-2-imidazolyl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[[(1-phenylimidazol-2-yl)thio]methyl]-1H-quinazolin-4-one Formula: C20H18N4O3S MolecularWeight: 394.44692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NC=CN3C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NC=CN3C4=CC=CC=C4)OC

InChI

InChI=1S/C20H18N4O3S/c1-26-16-10-14-15(11-17(16)27-2)22-18(23-19(14)25)12-28-20-21-8-9-24(20)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,22,23,25)