N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-isoxazol-5-yl-6-nitro-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-isoxazolyl)-6-nitro-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: (2-isoxazol-5-yl-6-nitro-thieno[2,3-d]pyrimidin-4-yl)-piperonyl-amine Formula: C17H11N5O5S MolecularWeight: 397.36474

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C4C=C(SC4=NC(=N3)C5=CC=NO5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C4C=C(SC4=NC(=N3)C5=CC=NO5)[N+](=O)[O-]

InChI

InChI=1S/C17H11N5O5S/c23-22(24)14-6-10-15(18-7-9-1-2-11-13(5-9)26-8-25-11)20-16(21-17(10)28-14)12-3-4-19-27-12/h1-6H,7-8H2,(H,18,20,21)