6-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxy-N-(4-methylsulfonylphenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxy-N-(4-methylsulfonylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[[1-(3,3-dimethylbutyl)-4-piperidyl]oxy]-N-(4-methylsulfonylphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[[1-(3,3-dimethylbutyl)-4-piperidinyl]oxy]-N-(4-methylsulfonylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxy-N-(4-methylsulfonylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[[1-(3,3-dimethylbutyl)-4-piperidyl]oxy]-5-nitro-pyrimidin-4-yl]-(4-mesylphenyl)amine Formula: C22H31N5O5S MolecularWeight: 477.57704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCN1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)CCN1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H31N5O5S/c1-22(2,3)11-14-26-12-9-17(10-13-26)32-21-19(27(28)29)20(23-15-24-21)25-16-5-7-18(8-6-16)33(4,30)31/h5-8,15,17H,9-14H2,1-4H3,(H,23,24,25)