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

Systemtic Name: [4-[6-(2,3-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[6-(2,3-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[6-(2,3-dimethylphenoxy)-5-nitro-4-pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[6-(2,3-dimethylphenoxy)-5-nitropyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[6-(2,3-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]piperazino]-(2-furyl)methanone Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CO4)C

Isomeric SMILES

CC1=C(C(=CC=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CO4)C

InChI

InChI=1S/C21H21N5O5/c1-14-5-3-6-16(15(14)2)31-20-18(26(28)29)19(22-13-23-20)24-8-10-25(11-9-24)21(27)17-7-4-12-30-17/h3-7,12-13H,8-11H2,1-2H3