N-ethyl-3-[[4-(methoxymethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-methyl-benzamide

Systemtic Name: N-ethyl-3-[[4-(methoxymethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-methyl-benzamide Openeye Name: N-ethyl-3-[[4-(methoxymethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-methyl-benzamide CAS Name: N-ethyl-3-[[[4-(methoxymethyl)-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-N-methylbenzamide IUPAC Name: N-ethyl-3-[[4-(methoxymethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-methylbenzamide Traditional Name: N-ethyl-3-[[[4-(methoxymethyl)-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]-N-methyl-benzamide Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O2S/c1-5-26(3)21(28)18-8-6-7-17(13-18)16-30-22-23-19(15-29-4)14-20(24-22)27-11-9-25(2)10-12-27/h6-8,13-14H,5,9-12,15-16H2,1-4H3