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

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-nitro-2-pyridin-4-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-nitro-2-(4-pyridyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-nitro-2-pyridin-4-yl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-nitro-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[6-nitro-2-(4-pyridyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C21H17N5O4S MolecularWeight: 435.45578

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CCNC3=C4C=C(SC4=NC(=N3)C5=CC=NC=C5)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CCNC3=C4C=C(SC4=NC(=N3)C5=CC=NC=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O4S/c27-26(28)18-12-15-20(24-19(25-21(15)31-18)14-4-6-22-7-5-14)23-8-3-13-1-2-16-17(11-13)30-10-9-29-16/h1-2,4-7,11-12H,3,8-10H2,(H,23,24,25)