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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(5-methyl-4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(5-methyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(5-methyl-4-oxo-6-phenyl-3-thieno[2,3-d]pyrimidinyl)acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-keto-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetamide Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC4=C(C=C3)OCCCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC4=C(C=C3)OCCCO4)C5=CC=CC=C5

InChI

InChI=1S/C24H21N3O4S/c1-15-21-23(32-22(15)16-6-3-2-4-7-16)25-14-27(24(21)29)13-20(28)26-17-8-9-18-19(12-17)31-11-5-10-30-18/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,26,28)