3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[3-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-[3-(4-ethylpiperazino)sulfonylphenyl]propionamide Formula: C22H31N5O3S2 MolecularWeight: 477.64324

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCC3=C(N=C(N=C3C)SC)C

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCC3=C(N=C(N=C3C)SC)C

InChI

InChI=1S/C22H31N5O3S2/c1-5-26-11-13-27(14-12-26)32(29,30)19-8-6-7-18(15-19)25-21(28)10-9-20-16(2)23-22(31-4)24-17(20)3/h6-8,15H,5,9-14H2,1-4H3,(H,25,28)