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

Systemtic Name: N-(2-dimethylaminoethyl)-3-[[4-(4-ethanoylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: 3-[[4-(4-acetylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-dimethylaminoethyl)benzamide CAS Name: 3-[[[4-(4-acetyl-1-piperazinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]-N-(2-dimethylaminoethyl)benzamide IUPAC Name: 3-[[4-(4-acetylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-(2-dimethylaminoethyl)benzamide Traditional Name: 3-[[[4-(4-acetylpiperazino)-6-phenyl-pyrimidin-2-yl]thio]methyl]-N-(2-dimethylaminoethyl)benzamide Formula: C28H34N6O2S MolecularWeight: 518.67356

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=CC(=C4)C(=O)NCCN(C)C

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=CC(=C4)C(=O)NCCN(C)C

InChI

InChI=1S/C28H34N6O2S/c1-21(35)33-14-16-34(17-15-33)26-19-25(23-9-5-4-6-10-23)30-28(31-26)37-20-22-8-7-11-24(18-22)27(36)29-12-13-32(2)3/h4-11,18-19H,12-17,20H2,1-3H3,(H,29,36)