[4-[6-[(4-dimethylaminophenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[6-[(4-dimethylaminophenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[6-[(4-dimethylaminophenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[6-[(4-dimethylaminophenyl)methylamino]-5-nitro-4-pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[6-[(4-dimethylaminophenyl)methylamino]-5-nitropyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[6-[[4-(dimethylamino)benzyl]amino]-5-nitro-pyrimidin-4-yl]piperazino]-(2-furyl)methanone Formula: C22H25N7O4 MolecularWeight: 451.4784

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C22H25N7O4/c1-26(2)17-7-5-16(6-8-17)14-23-20-19(29(31)32)21(25-15-24-20)27-9-11-28(12-10-27)22(30)18-4-3-13-33-18/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,24,25)