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

Systemtic Name: [4-[6-(1-benzothiophen-3-ylmethylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[6-(benzothiophen-3-ylmethylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[6-(1-benzothiophen-3-ylmethylamino)-5-nitro-4-pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[6-(1-benzothiophen-3-ylmethylamino)-5-nitropyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[6-(benzothiophen-3-ylmethylamino)-5-nitro-pyrimidin-4-yl]piperazino]-(2-furyl)methanone Formula: C22H20N6O4S MolecularWeight: 464.497

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)NCC3=CSC4=CC=CC=C43)[N+](=O)[O-])C(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)NCC3=CSC4=CC=CC=C43)[N+](=O)[O-])C(=O)C5=CC=CO5

InChI

InChI=1S/C22H20N6O4S/c29-22(17-5-3-11-32-17)27-9-7-26(8-10-27)21-19(28(30)31)20(24-14-25-21)23-12-15-13-33-18-6-2-1-4-16(15)18/h1-6,11,13-14H,7-10,12H2,(H,23,24,25)