[4-[6-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[6-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[6-(2,3-dihydrobenzofuran-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[6-(2,3-dihydrobenzofuran-5-ylmethylamino)-5-nitro-4-pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[6-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5-nitropyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[6-(coumaran-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]piperazino]-(2-furyl)methanone Formula: C22H22N6O5 MolecularWeight: 450.44728

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

C1COC2=C1C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C22H22N6O5/c29-22(18-2-1-10-32-18)27-8-6-26(7-9-27)21-19(28(30)31)20(24-14-25-21)23-13-15-3-4-17-16(12-15)5-11-33-17/h1-4,10,12,14H,5-9,11,13H2,(H,23,24,25)