2-[4-chloranyl-6-(4-ethanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3,3-diphenylpropyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-ethanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3,3-diphenylpropyl)ethanamide Openeye Name: 2-[4-(4-acetyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-(3,3-diphenylpropyl)acetamide CAS Name: 2-[[4-(4-acetyl-3-methyl-1-piperazinyl)-6-chloro-2-pyrimidinyl]thio]-N-(3,3-diphenylpropyl)acetamide IUPAC Name: 2-[4-(4-acetyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-(3,3-diphenylpropyl)acetamide Traditional Name: 2-[[4-(4-acetyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-(3,3-diphenylpropyl)acetamide Formula: C28H32ClN5O2S MolecularWeight: 538.10398

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C28H32ClN5O2S/c1-20-18-33(15-16-34(20)21(2)35)26-17-25(29)31-28(32-26)37-19-27(36)30-14-13-24(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,17,20,24H,13-16,18-19H2,1-2H3,(H,30,36)