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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-2-(1,2,4-triazol-1-yl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-2-(1,2,4-triazol-1-yl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-2-(1,2,4-triazol-1-yl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-2-(1,2,4-triazol-1-yl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: [6-nitro-2-(1,2,4-triazol-1-yl)thieno[2,3-d]pyrimidin-4-yl]-piperonyl-amine Formula: C16H11N7O4S MolecularWeight: 397.36804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C4C=C(SC4=NC(=N3)N5C=NC=N5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C4C=C(SC4=NC(=N3)N5C=NC=N5)[N+](=O)[O-]

InChI

InChI=1S/C16H11N7O4S/c24-23(25)13-4-10-14(18-5-9-1-2-11-12(3-9)27-8-26-11)20-16(21-15(10)28-13)22-7-17-6-19-22/h1-4,6-7H,5,8H2,(H,18,20,21)