2-[4-chloranyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(diphenylmethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(diphenylmethyl)ethanamide Openeye Name: N-benzhydryl-2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(diphenylmethyl)acetamide IUPAC Name: N-benzhydryl-2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-benzhydryl-2-[[4-chloro-6-(4-propionylpiperazino)pyrimidin-2-yl]thio]acetamide Formula: C26H28ClN5O2S MolecularWeight: 510.05082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C26H28ClN5O2S/c1-2-24(34)32-15-13-31(14-16-32)22-17-21(27)28-26(29-22)35-18-23(33)30-25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17,25H,2,13-16,18H2,1H3,(H,30,33)