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

Systemtic Name: N-(4-methylsulfonylphenyl)-5-nitro-N-(thiophen-3-ylmethyl)-6-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxy-pyrimidin-4-amine Openeye Name: N-(4-methylsulfonylphenyl)-5-nitro-N-(3-thienylmethyl)-6-[[1-(3-thienylmethyl)-4-piperidyl]oxy]pyrimidin-4-amine CAS Name: N-(4-methylsulfonylphenyl)-5-nitro-N-(3-thiophenylmethyl)-6-[[1-(3-thiophenylmethyl)-4-piperidinyl]oxy]-4-pyrimidinamine IUPAC Name: N-(4-methylsulfonylphenyl)-5-nitro-N-(thiophen-3-ylmethyl)-6-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxypyrimidin-4-amine Traditional Name: (4-mesylphenyl)-[5-nitro-6-[[1-(3-thenyl)-4-piperidyl]oxy]pyrimidin-4-yl]-(3-thenyl)amine Formula: C26H27N5O5S3 MolecularWeight: 585.71808

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N(CC2=CSC=C2)C3=C(C(=NC=N3)OC4CCN(CC4)CC5=CSC=C5)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N(CC2=CSC=C2)C3=C(C(=NC=N3)OC4CCN(CC4)CC5=CSC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H27N5O5S3/c1-39(34,35)23-4-2-21(3-5-23)30(15-20-9-13-38-17-20)25-24(31(32)33)26(28-18-27-25)36-22-6-10-29(11-7-22)14-19-8-12-37-16-19/h2-5,8-9,12-13,16-18,22H,6-7,10-11,14-15H2,1H3