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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-nitro-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-nitro-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-nitro-2-(1-pyrazolyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-nitro-2-pyrazol-1-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: homopiperonyl-(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:

C1OC2=C(O1)C=C(C=C2)CCNC3=C4C=C(SC4=NC(=N3)N5C=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC3=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)23-7-1-5-20-23)19-6-4-11-2-3-13-14(8-11)28-10-27-13/h1-3,5,7-9H,4,6,10H2,(H,19,21,22)