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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-nitro-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-isoxazol-5-yl-6-nitro-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(5-isoxazolyl)-6-nitro-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-nitro-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: homopiperonyl-(2-isoxazol-5-yl-6-nitro-thieno[2,3-d]pyrimidin-4-yl)amine Formula: C18H13N5O5S MolecularWeight: 411.39132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC3=C4C=C(SC4=NC(=N3)C5=CC=NO5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC3=C4C=C(SC4=NC(=N3)C5=CC=NO5)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O5S/c24-23(25)15-8-11-16(21-17(22-18(11)29-15)13-4-6-20-28-13)19-5-3-10-1-2-12-14(7-10)27-9-26-12/h1-2,4,6-8H,3,5,9H2,(H,19,21,22)