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

Systemtic Name: 2-[4-chloranyl-6-(3-methyl-4-pentanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3,3-diphenylpropyl)ethanamide Openeye Name: 2-[4-chloro-6-(3-methyl-4-pentanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3,3-diphenylpropyl)acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxopentyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(3,3-diphenylpropyl)acetamide IUPAC Name: 2-[4-chloro-6-(3-methyl-4-pentanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3,3-diphenylpropyl)acetamide Traditional Name: 2-[[4-chloro-6-(3-methyl-4-valeryl-piperazino)pyrimidin-2-yl]thio]-N-(3,3-diphenylpropyl)acetamide Formula: C31H38ClN5O2S MolecularWeight: 580.18372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C31H38ClN5O2S/c1-3-4-15-30(39)37-19-18-36(21-23(37)2)28-20-27(32)34-31(35-28)40-22-29(38)33-17-16-26(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-14,20,23,26H,3-4,15-19,21-22H2,1-2H3,(H,33,38)