tert-butyl 3-[[2-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]sulfanylethanoylamino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[2-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]sulfanylethanoylamino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[[2-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]sulfanylacetyl]amino]methyl]piperidine-1-carboxylate CAS Name: 3-[[[2-[[5-(3,4-dimethoxyphenyl)-2-pyrimidinyl]thio]-1-oxoethyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[[2-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]sulfanylacetyl]amino]methyl]piperidine-1-carboxylate Traditional Name: 3-[[[2-[[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]thio]acetyl]amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H34N4O5S MolecularWeight: 502.62626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)CNC(=O)CSC2=NC=C(C=N2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)CNC(=O)CSC2=NC=C(C=N2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H34N4O5S/c1-25(2,3)34-24(31)29-10-6-7-17(15-29)12-26-22(30)16-35-23-27-13-19(14-28-23)18-8-9-20(32-4)21(11-18)33-5/h8-9,11,13-14,17H,6-7,10,12,15-16H2,1-5H3,(H,26,30)