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

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-nitro-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-nitro-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-nitro-2-(2-pyrazinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-nitro-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-(6-nitro-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-yl)amine Formula: C20H16N6O4S MolecularWeight: 436.44384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N6O4S/c27-26(28)17-10-13-18(24-19(25-20(13)31-17)14-11-21-5-6-22-14)23-4-3-12-1-2-15-16(9-12)30-8-7-29-15/h1-2,5-6,9-11H,3-4,7-8H2,(H,23,24,25)