N-(4-methylsulfonylphenyl)-5-nitro-6-piperidin-4-yloxy-pyrimidin-4-amine

Systemtic Name: N-(4-methylsulfonylphenyl)-5-nitro-6-piperidin-4-yloxy-pyrimidin-4-amine Openeye Name: N-(4-methylsulfonylphenyl)-5-nitro-6-(4-piperidyloxy)pyrimidin-4-amine CAS Name: N-(4-methylsulfonylphenyl)-5-nitro-6-(4-piperidinyloxy)-4-pyrimidinamine IUPAC Name: N-(4-methylsulfonylphenyl)-5-nitro-6-piperidin-4-yloxypyrimidin-4-amine Traditional Name: (4-mesylphenyl)-[5-nitro-6-(4-piperidyloxy)pyrimidin-4-yl]amine Formula: C16H19N5O5S MolecularWeight: 393.41756

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3CCNCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3CCNCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O5S/c1-27(24,25)13-4-2-11(3-5-13)20-15-14(21(22)23)16(19-10-18-15)26-12-6-8-17-9-7-12/h2-5,10,12,17H,6-9H2,1H3,(H,18,19,20)