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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-2-(3-pyridinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [6-nitro-2-(3-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=CN=CC=C5)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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