4-[[4-(4-ethanoylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-N-methyl-benzamide

Systemtic Name: 4-[[4-(4-ethanoylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-N-methyl-benzamide Openeye Name: 4-[[4-(4-acetylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-N-methyl-benzamide CAS Name: 4-[[[4-(4-acetyl-1-piperazinyl)-6-ethyl-2-pyrimidinyl]thio]methyl]-N-ethyl-N-methylbenzamide IUPAC Name: 4-[[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-ethyl-N-methylbenzamide Traditional Name: 4-[[[4-(4-acetylpiperazino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-ethyl-N-methyl-benzamide Formula: C23H31N5O2S MolecularWeight: 441.58954

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N(C)CC)N3CCN(CC3)C(=O)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N(C)CC)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C23H31N5O2S/c1-5-20-15-21(28-13-11-27(12-14-28)17(3)29)25-23(24-20)31-16-18-7-9-19(10-8-18)22(30)26(4)6-2/h7-10,15H,5-6,11-14,16H2,1-4H3