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

Systemtic Name: 2-[4-chloranyl-6-(3-methyl-4-pentanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-chloro-6-(3-methyl-4-pentanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxopentyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(2-dimethylaminoethyl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-chloro-6-(3-methyl-4-pentanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)acetamide Traditional Name: N-benzyl-2-[[4-chloro-6-(3-methyl-4-valeryl-piperazino)pyrimidin-2-yl]thio]-N-(2-dimethylaminoethyl)acetamide Formula: C27H39ClN6O2S MolecularWeight: 547.15556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39ClN6O2S/c1-5-6-12-25(35)34-16-15-32(18-21(34)2)24-17-23(28)29-27(30-24)37-20-26(36)33(14-13-31(3)4)19-22-10-8-7-9-11-22/h7-11,17,21H,5-6,12-16,18-20H2,1-4H3