2-[4-chloranyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]ethanamide Openeye Name: 2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[4-(diethylamino)-1-methyl-butyl]acetamide CAS Name: 2-[[4-chloro-6-[4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-[5-(diethylamino)pentan-2-yl]acetamide IUPAC Name: 2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide Traditional Name: 2-[[4-chloro-6-(4-propionylpiperazino)pyrimidin-2-yl]thio]-N-[4-(diethylamino)-1-methyl-butyl]acetamide Formula: C22H37ClN6O2S MolecularWeight: 485.08618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NC(C)CCCN(CC)CC)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NC(C)CCCN(CC)CC)Cl

InChI

InChI=1S/C22H37ClN6O2S/c1-5-21(31)29-13-11-28(12-14-29)19-15-18(23)25-22(26-19)32-16-20(30)24-17(4)9-8-10-27(6-2)7-3/h15,17H,5-14,16H2,1-4H3,(H,24,30)