N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propanamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propionamide Formula: C17H14BrN3O4S MolecularWeight: 436.27976

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)CCN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)CCN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C17H14BrN3O4S/c18-11-7-13-14(25-5-4-24-13)8-12(11)20-15(22)1-3-21-9-19-16-10(17(21)23)2-6-26-16/h2,6-9H,1,3-5H2,(H,20,22)