[4-[6-[bis(pyridin-2-ylmethyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[6-[bis(pyridin-2-ylmethyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[6-[bis(2-pyridylmethyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[6-[bis(2-pyridinylmethyl)amino]-5-nitro-4-pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[6-[bis(pyridin-2-ylmethyl)amino]-5-nitropyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[6-[bis(2-pyridylmethyl)amino]-5-nitro-pyrimidin-4-yl]piperazino]-(2-furyl)methanone Formula: C25H24N8O4 MolecularWeight: 500.50926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)N(CC3=CC=CC=N3)CC4=CC=CC=N4)[N+](=O)[O-])C(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)N(CC3=CC=CC=N3)CC4=CC=CC=N4)[N+](=O)[O-])C(=O)C5=CC=CO5

InChI

InChI=1S/C25H24N8O4/c34-25(21-8-5-15-37-21)31-13-11-30(12-14-31)23-22(33(35)36)24(29-18-28-23)32(16-19-6-1-3-9-26-19)17-20-7-2-4-10-27-20/h1-10,15,18H,11-14,16-17H2