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

Systemtic Name: 6-(1-hexylpiperidin-4-yl)oxy-N-(4-methylsulfonylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[(1-hexyl-4-piperidyl)oxy]-N-(4-methylsulfonylphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[(1-hexyl-4-piperidinyl)oxy]-N-(4-methylsulfonylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(1-hexylpiperidin-4-yl)oxy-N-(4-methylsulfonylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[(1-hexyl-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:

CCCCCCN1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCCCCN1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H31N5O5S/c1-3-4-5-6-13-26-14-11-18(12-15-26)32-22-20(27(28)29)21(23-16-24-22)25-17-7-9-19(10-8-17)33(2,30)31/h7-10,16,18H,3-6,11-15H2,1-2H3,(H,23,24,25)