2-[4-chloranyl-6-(3-methyl-4-octanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]ethanamide

Systemtic Name: 2-[4-chloranyl-6-(3-methyl-4-octanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]ethanamide Openeye Name: 2-[4-chloro-6-(3-methyl-4-octanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[4-(diethylamino)-1-methyl-butyl]acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxooctyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-[5-(diethylamino)pentan-2-yl]acetamide IUPAC Name: 2-[4-chloro-6-(3-methyl-4-octanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide Traditional Name: 2-[[4-(4-caprylyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-[4-(diethylamino)-1-methyl-butyl]acetamide Formula: C28H49ClN6O2S MolecularWeight: 569.24566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC(C)CCCN(CC)CC)Cl

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC(C)CCCN(CC)CC)Cl

InChI

InChI=1S/C28H49ClN6O2S/c1-6-9-10-11-12-15-27(37)35-18-17-34(20-23(35)5)25-19-24(29)31-28(32-25)38-21-26(36)30-22(4)14-13-16-33(7-2)8-3/h19,22-23H,6-18,20-21H2,1-5H3,(H,30,36)