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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-nitro-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-nitro-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-nitro-2-(1-pyrazolyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-nitro-2-pyrazol-1-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-(6-nitro-2-pyrazol-1-yl-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=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CNC3=C4C=C(SC4=NC(=N3)N5C=CC=N5)[N+](=O)[O-]

InChI

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