3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl]-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl]-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl]-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl]-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C24H20N2O4S MolecularWeight: 432.4916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)C3=CC4=C(C=C3)OCCCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)C3=CC4=C(C=C3)OCCCO4)C5=CC=CC=C5

InChI

InChI=1S/C24H20N2O4S/c1-15-21(16-6-3-2-4-7-16)22-23(31-15)25-14-26(24(22)28)13-18(27)17-8-9-19-20(12-17)30-11-5-10-29-19/h2-4,6-9,12,14H,5,10-11,13H2,1H3