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

Systemtic Name: 2-[4-chloranyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-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-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[4-chloro-6-(4-propionylpiperazino)pyrimidin-2-yl]thio]acetamide Formula: C20H24ClN5O2S MolecularWeight: 433.95486

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CC=C3)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H24ClN5O2S/c1-2-19(28)26-10-8-25(9-11-26)17-12-16(21)23-20(24-17)29-14-18(27)22-13-15-6-4-3-5-7-15/h3-7,12H,2,8-11,13-14H2,1H3,(H,22,27)