4-[[4-(4-ethanoylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide

Systemtic Name: 4-[[4-(4-ethanoylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide Openeye Name: 4-[[4-(4-acetylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide CAS Name: 4-[[[4-(4-acetyl-1-piperazinyl)-5,6-dimethyl-2-pyrimidinyl]thio]methyl]-N-ethylbenzamide IUPAC Name: 4-[[4-(4-acetylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]-N-ethylbenzamide Traditional Name: 4-[[[4-(4-acetylpiperazino)-5,6-dimethyl-pyrimidin-2-yl]thio]methyl]-N-ethyl-benzamide Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC=C(C=C1)CSC2=NC(=C(C(=N2)N3CCN(CC3)C(=O)C)C)C

Isomeric SMILES

CCNC(=O)C1=CC=C(C=C1)CSC2=NC(=C(C(=N2)N3CCN(CC3)C(=O)C)C)C

InChI

InChI=1S/C22H29N5O2S/c1-5-23-21(29)19-8-6-18(7-9-19)14-30-22-24-16(3)15(2)20(25-22)27-12-10-26(11-13-27)17(4)28/h6-9H,5,10-14H2,1-4H3,(H,23,29)