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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CNC3=C4C=C(SC4=NC(=N3)C5=CC=NC=C5)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CNC3=C4C=C(SC4=NC(=N3)C5=CC=NC=C5)[N+](=O)[O-]

InChI

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