3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H16N2O4S MolecularWeight: 404.43844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C22H16N2O4S/c1-13-19-21(29-20(13)14-5-3-2-4-6-14)23-11-24(22(19)26)10-16(25)15-7-8-17-18(9-15)28-12-27-17/h2-9,11H,10,12H2,1H3