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

Systemtic Name: 2-[4-chloranyl-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)ethanamide Openeye Name: 2-[4-chloro-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(3-methyl-1-oxobutyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(2-dimethylaminoethyl)acetamide IUPAC Name: 2-[4-chloro-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)acetamide Traditional Name: 2-[[4-chloro-6-(4-isovaleryl-3-methyl-piperazino)pyrimidin-2-yl]thio]-N-(2-dimethylaminoethyl)acetamide Formula: C20H33ClN6O2S MolecularWeight: 457.03302

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC(C)C)C2=CC(=NC(=N2)SCC(=O)NCCN(C)C)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)CC(C)C)C2=CC(=NC(=N2)SCC(=O)NCCN(C)C)Cl

InChI

InChI=1S/C20H33ClN6O2S/c1-14(2)10-19(29)27-9-8-26(12-15(27)3)17-11-16(21)23-20(24-17)30-13-18(28)22-6-7-25(4)5/h11,14-15H,6-10,12-13H2,1-5H3,(H,22,28)