6-(1,3-benzodioxol-5-yl)-2-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-pyrimidin-4-one

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-2-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-pyrimidin-4-one Openeye Name: 6-(1,3-benzodioxol-5-yl)-2-[2-(4-ethoxyphenyl)-2-oxo-ethyl]sulfanyl-3-phenyl-pyrimidin-4-one CAS Name: 6-(1,3-benzodioxol-5-yl)-2-[[2-(4-ethoxyphenyl)-2-oxoethyl]thio]-3-phenyl-4-pyrimidinone IUPAC Name: 6-(1,3-benzodioxol-5-yl)-2-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl-3-phenylpyrimidin-4-one Traditional Name: 6-(1,3-benzodioxol-5-yl)-2-[(2-keto-2-p-phenetyl-ethyl)thio]-3-phenyl-pyrimidin-4-one Formula: C27H22N2O5S MolecularWeight: 486.53898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CSC2=NC(=CC(=O)N2C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CSC2=NC(=CC(=O)N2C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H22N2O5S/c1-2-32-21-11-8-18(9-12-21)23(30)16-35-27-28-22(19-10-13-24-25(14-19)34-17-33-24)15-26(31)29(27)20-6-4-3-5-7-20/h3-15H,2,16-17H2,1H3