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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-chloranyl-6-nitro-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-6-nitro-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-6-nitro-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-6-nitrothieno[2,3-d]pyrimidin-4-amine Traditional Name: (2-chloro-6-nitro-thieno[2,3-d]pyrimidin-4-yl)-piperonyl-amine Formula: C14H9ClN4O4S MolecularWeight: 364.76366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9ClN4O4S/c15-14-17-12(8-4-11(19(20)21)24-13(8)18-14)16-5-7-1-2-9-10(3-7)23-6-22-9/h1-4H,5-6H2,(H,16,17,18)