N-(cyclopropylmethyl)-3-[[4-(4-ethanoylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-(cyclopropylmethyl)-3-[[4-(4-ethanoylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: 3-[[4-(4-acetylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(cyclopropylmethyl)benzamide CAS Name: 3-[[[4-(4-acetyl-1-piperazinyl)-6-ethyl-2-pyrimidinyl]thio]methyl]-N-(cyclopropylmethyl)benzamide IUPAC Name: 3-[[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-(cyclopropylmethyl)benzamide Traditional Name: 3-[[[4-(4-acetylpiperazino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-(cyclopropylmethyl)benzamide Formula: C24H31N5O2S MolecularWeight: 453.60024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3CC3)N4CCN(CC4)C(=O)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3CC3)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C24H31N5O2S/c1-3-21-14-22(29-11-9-28(10-12-29)17(2)30)27-24(26-21)32-16-19-5-4-6-20(13-19)23(31)25-15-18-7-8-18/h4-6,13-14,18H,3,7-12,15-16H2,1-2H3,(H,25,31)