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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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