[4-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-4-pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitropyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]piperazino]-(2-furyl)methanone Formula: C24H26N6O6 MolecularWeight: 494.49984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=C(C(=NC=N3)N4CCN(CC4)C(=O)C5=CC=CO5)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=C(C(=NC=N3)N4CCN(CC4)C(=O)C5=CC=CO5)[N+](=O)[O-])OC

InChI

InChI=1S/C24H26N6O6/c1-34-19-12-16-5-6-29(14-17(16)13-20(19)35-2)23-21(30(32)33)22(25-15-26-23)27-7-9-28(10-8-27)24(31)18-4-3-11-36-18/h3-4,11-13,15H,5-10,14H2,1-2H3