6-(1,3-benzodioxol-5-yl)-2-phenacylsulfanyl-3-phenyl-pyrimidin-4-one

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-2-phenacylsulfanyl-3-phenyl-pyrimidin-4-one Openeye Name: 6-(1,3-benzodioxol-5-yl)-2-phenacylsulfanyl-3-phenyl-pyrimidin-4-one CAS Name: 6-(1,3-benzodioxol-5-yl)-2-(phenacylthio)-3-phenyl-4-pyrimidinone IUPAC Name: 6-(1,3-benzodioxol-5-yl)-2-phenacylsulfanyl-3-phenylpyrimidin-4-one Traditional Name: 6-(1,3-benzodioxol-5-yl)-2-(phenacylthio)-3-phenyl-pyrimidin-4-one Formula: C25H18N2O4S MolecularWeight: 442.48642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H18N2O4S/c28-21(17-7-3-1-4-8-17)15-32-25-26-20(18-11-12-22-23(13-18)31-16-30-22)14-24(29)27(25)19-9-5-2-6-10-19/h1-14H,15-16H2