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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-2-pyridin-2-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-2-(2-pyridyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-2-(2-pyridinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [6-nitro-2-(2-pyridyl)thieno[2,3-d]pyrimidin-4-yl]-piperonyl-amine Formula: C19H13N5O4S MolecularWeight: 407.40262

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C4C=C(SC4=NC(=N3)C5=CC=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C4C=C(SC4=NC(=N3)C5=CC=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C19H13N5O4S/c25-24(26)16-8-12-17(21-9-11-4-5-14-15(7-11)28-10-27-14)22-18(23-19(12)29-16)13-3-1-2-6-20-13/h1-8H,9-10H2,(H,21,22,23)