N-(1,3-benzodioxol-5-ylmethyl)-3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide Traditional Name: 3-(4-ketothieno[2,3-d]pyrimidin-3-yl)-N-piperonyl-propionamide Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C17H15N3O4S/c21-15(18-8-11-1-2-13-14(7-11)24-10-23-13)3-5-20-9-19-16-12(17(20)22)4-6-25-16/h1-2,4,6-7,9H,3,5,8,10H2,(H,18,21)