tert-butyl 4-[2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H35N5O3S MolecularWeight: 437.5993

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCCN2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCCN2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H35N5O3S/c1-15-17(16(2)24-19(23-15)30-6)7-8-18(27)22-9-10-25-11-13-26(14-12-25)20(28)29-21(3,4)5/h7-14H2,1-6H3,(H,22,27)