2-[4-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyl]piperazin-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyl]piperazin-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyl]piperazin-1-yl]acetamide CAS Name: 2-[4-[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]-1-piperazinyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]piperazin-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoyl]piperazino]acetamide Formula: C23H31N5O2S MolecularWeight: 441.58954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCN(CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCN(CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H31N5O2S/c1-17-20(18(2)26-23(25-17)31-3)9-10-22(30)28-13-11-27(12-14-28)16-21(29)24-15-19-7-5-4-6-8-19/h4-8H,9-16H2,1-3H3,(H,24,29)