6-(1-butylsulfonylpiperidin-4-yl)oxy-N-(4-methylsulfonylphenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(1-butylsulfonylpiperidin-4-yl)oxy-N-(4-methylsulfonylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[(1-butylsulfonyl-4-piperidyl)oxy]-N-(4-methylsulfonylphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[(1-butylsulfonyl-4-piperidinyl)oxy]-N-(4-methylsulfonylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(1-butylsulfonylpiperidin-4-yl)oxy-N-(4-methylsulfonylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[(1-butylsulfonyl-4-piperidyl)oxy]-5-nitro-pyrimidin-4-yl]-(4-mesylphenyl)amine Formula: C20H27N5O7S2 MolecularWeight: 513.58768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCCS(=O)(=O)N1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H27N5O7S2/c1-3-4-13-34(30,31)24-11-9-16(10-12-24)32-20-18(25(26)27)19(21-14-22-20)23-15-5-7-17(8-6-15)33(2,28)29/h5-8,14,16H,3-4,9-13H2,1-2H3,(H,21,22,23)