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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-2-(2-pyrazinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (6-nitro-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-yl)-piperonyl-amine Formula: C18H12N6O4S MolecularWeight: 408.39068

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C4C=C(SC4=NC(=N3)C5=NC=CN=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C4C=C(SC4=NC(=N3)C5=NC=CN=C5)[N+](=O)[O-]

InChI

InChI=1S/C18H12N6O4S/c25-24(26)15-6-11-16(21-7-10-1-2-13-14(5-10)28-9-27-13)22-17(23-18(11)29-15)12-8-19-3-4-20-12/h1-6,8H,7,9H2,(H,21,22,23)