3-[[4,5-dimethyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide

Systemtic Name: 3-[[4,5-dimethyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 3-[[4-(4-benzylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 3-[[[4,5-dimethyl-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 3-[[4-(4-benzylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 3-[[[4-(4-benzylpiperazino)-5,6-dimethyl-pyrimidin-2-yl]thio]methyl]-N-isopropyl-benzamide Formula: C28H35N5OS MolecularWeight: 489.6754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCN(CC2)CC3=CC=CC=C3)SCC4=CC=CC(=C4)C(=O)NC(C)C)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCN(CC2)CC3=CC=CC=C3)SCC4=CC=CC(=C4)C(=O)NC(C)C)C

InChI

InChI=1S/C28H35N5OS/c1-20(2)29-27(34)25-12-8-11-24(17-25)19-35-28-30-22(4)21(3)26(31-28)33-15-13-32(14-16-33)18-23-9-6-5-7-10-23/h5-12,17,20H,13-16,18-19H2,1-4H3,(H,29,34)