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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-imidazol-1-yl-6-nitro-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-imidazol-1-yl-6-nitro-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1-imidazolyl)-6-nitro-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-imidazol-1-yl-6-nitrothieno[2,3-d]pyrimidin-4-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-(2-imidazol-1-yl-6-nitro-thieno[2,3-d]pyrimidin-4-yl)amine Formula: C18H14N6O4S MolecularWeight: 410.40656

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CNC3=C4C=C(SC4=NC(=N3)N5C=CN=C5)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CNC3=C4C=C(SC4=NC(=N3)N5C=CN=C5)[N+](=O)[O-]

InChI

InChI=1S/C18H14N6O4S/c25-24(26)15-8-12-16(21-18(22-17(12)29-15)23-4-3-19-10-23)20-9-11-1-2-13-14(7-11)28-6-5-27-13/h1-4,7-8,10H,5-6,9H2,(H,20,21,22)