N-cyclopropyl-3-[[4-ethyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-cyclopropyl-3-[[4-ethyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide CAS Name: N-cyclopropyl-3-[[[4-ethyl-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylbenzamide Traditional Name: 3-[[[4-(4-benzylpiperazino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-cyclopropyl-benzamide Formula: C28H33N5OS MolecularWeight: 487.65952

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC3CC3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC3CC3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H33N5OS/c1-2-24-18-26(33-15-13-32(14-16-33)19-21-7-4-3-5-8-21)31-28(30-24)35-20-22-9-6-10-23(17-22)27(34)29-25-11-12-25/h3-10,17-18,25H,2,11-16,19-20H2,1H3,(H,29,34)