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

Systemtic Name: N-cyclopropyl-3-[[4-(4-ethanoylpiperazin-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: 3-[[4-(4-acetylpiperazin-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide CAS Name: 3-[[[4-(4-acetyl-1-piperazinyl)-6-methyl-2-pyrimidinyl]thio]methyl]-N-cyclopropylbenzamide IUPAC Name: 3-[[4-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylbenzamide Traditional Name: 3-[[[4-(4-acetylpiperazino)-6-methyl-pyrimidin-2-yl]thio]methyl]-N-cyclopropyl-benzamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC3CC3)N4CCN(CC4)C(=O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC3CC3)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C22H27N5O2S/c1-15-12-20(27-10-8-26(9-11-27)16(2)28)25-22(23-15)30-14-17-4-3-5-18(13-17)21(29)24-19-6-7-19/h3-5,12-13,19H,6-11,14H2,1-2H3,(H,24,29)