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

Systemtic Name: 2-[[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[[2-(4-acetylpiperazino)-2-keto-ethyl]thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C19H24N4O5S MolecularWeight: 420.48266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CSCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CSCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

InChI

InChI=1S/C19H24N4O5S/c1-12(24)22-4-6-23(7-5-22)18(25)11-29-10-17-20-14-9-16(28-3)15(27-2)8-13(14)19(26)21-17/h8-9H,4-7,10-11H2,1-3H3,(H,20,21,26)