2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxobutyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(2-dimethylaminoethyl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(4-butanoyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)acetamide Traditional Name: N-benzyl-2-[[4-(4-butyryl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-(2-dimethylaminoethyl)acetamide Formula: C26H37ClN6O2S MolecularWeight: 533.12898

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N(CCN(C)C)CC3=CC=CC=C3)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N(CCN(C)C)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C26H37ClN6O2S/c1-5-9-24(34)33-15-14-31(17-20(33)2)23-16-22(27)28-26(29-23)36-19-25(35)32(13-12-30(3)4)18-21-10-7-6-8-11-21/h6-8,10-11,16,20H,5,9,12-15,17-19H2,1-4H3