N-(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-(6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)NC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)NC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C18H17N3O4S/c1-2-12-9-13-17(26-12)19-10-21(18(13)23)20-16(22)11-4-5-14-15(8-11)25-7-3-6-24-14/h4-5,8-10H,2-3,6-7H2,1H3,(H,20,22)