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

Systemtic Name: 2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]ethanamide Openeye Name: 2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-[4-(diethylamino)-1-methyl-butyl]acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxobutyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-[5-(diethylamino)pentan-2-yl]acetamide IUPAC Name: 2-[4-(4-butanoyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide Traditional Name: 2-[[4-(4-butyryl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-[4-(diethylamino)-1-methyl-butyl]acetamide Formula: C24H41ClN6O2S MolecularWeight: 513.13934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H41ClN6O2S/c1-6-10-23(33)31-14-13-30(16-19(31)5)21-15-20(25)27-24(28-21)34-17-22(32)26-18(4)11-9-12-29(7-2)8-3/h15,18-19H,6-14,16-17H2,1-5H3,(H,26,32)