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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-nitro-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-nitro-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-nitro-2-(3-pyridinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-nitro-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: homopiperonyl-[6-nitro-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C20H15N5O4S MolecularWeight: 421.4292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N5O4S/c26-25(27)17-9-14-19(22-7-5-12-3-4-15-16(8-12)29-11-28-15)23-18(24-20(14)30-17)13-2-1-6-21-10-13/h1-4,6,8-10H,5,7,11H2,(H,22,23,24)