tert-butyl 3-[[2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanoylamino]methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanoylamino]methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[[[2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylacetyl]amino]methyl]pyrrolidine-1-carboxylate CAS Name: 3-[[[2-[[5-(4-methoxyphenyl)-2-pyrimidinyl]thio]-1-oxoethyl]amino]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[[2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylacetyl]amino]methyl]pyrrolidine-1-carboxylate Traditional Name: 3-[[[2-[[5-(4-methoxyphenyl)pyrimidin-2-yl]thio]acetyl]amino]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C23H30N4O4S MolecularWeight: 458.5737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)CNC(=O)CSC2=NC=C(C=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)CNC(=O)CSC2=NC=C(C=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H30N4O4S/c1-23(2,3)31-22(29)27-10-9-16(14-27)11-24-20(28)15-32-21-25-12-18(13-26-21)17-5-7-19(30-4)8-6-17/h5-8,12-13,16H,9-11,14-15H2,1-4H3,(H,24,28)