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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-nitro-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-nitro-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-nitro-2-(2-pyrazinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-nitro-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: homopiperonyl-(6-nitro-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-yl)amine Formula: C19H14N6O4S MolecularWeight: 422.41726

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC3=C4C=C(SC4=NC(=N3)C5=NC=CN=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC3=C4C=C(SC4=NC(=N3)C5=NC=CN=C5)[N+](=O)[O-]

InChI

InChI=1S/C19H14N6O4S/c26-25(27)16-8-12-17(22-4-3-11-1-2-14-15(7-11)29-10-28-14)23-18(24-19(12)30-16)13-9-20-5-6-21-13/h1-2,5-9H,3-4,10H2,(H,22,23,24)