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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-imidazol-1-yl-6-nitro-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-imidazol-1-yl-6-nitro-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-imidazolyl)-6-nitro-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-imidazol-1-yl-6-nitrothieno[2,3-d]pyrimidin-4-amine Traditional Name: (2-imidazol-1-yl-6-nitro-thieno[2,3-d]pyrimidin-4-yl)-piperonyl-amine Formula: C17H12N6O4S MolecularWeight: 396.37998

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C4C=C(SC4=NC(=N3)N5C=CN=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C4C=C(SC4=NC(=N3)N5C=CN=C5)[N+](=O)[O-]

InChI

InChI=1S/C17H12N6O4S/c24-23(25)14-6-11-15(19-7-10-1-2-12-13(5-10)27-9-26-12)20-17(21-16(11)28-14)22-4-3-18-8-22/h1-6,8H,7,9H2,(H,19,20,21)