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

Systemtic Name: 2-[4-chloranyl-6-(4-ethanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)-N-(phenylmethyl)ethanamide Openeye Name: 2-[4-(4-acetyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-benzyl-N-(2-dimethylaminoethyl)acetamide CAS Name: 2-[[4-(4-acetyl-3-methyl-1-piperazinyl)-6-chloro-2-pyrimidinyl]thio]-N-(2-dimethylaminoethyl)-N-(phenylmethyl)acetamide IUPAC Name: 2-[4-(4-acetyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-benzyl-N-(2-dimethylaminoethyl)acetamide Traditional Name: 2-[[4-(4-acetyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-benzyl-N-(2-dimethylaminoethyl)acetamide Formula: C24H33ClN6O2S MolecularWeight: 505.07582

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)N(CCN(C)C)CC3=CC=CC=C3)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)N(CCN(C)C)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C24H33ClN6O2S/c1-18-15-29(12-13-31(18)19(2)32)22-14-21(25)26-24(27-22)34-17-23(33)30(11-10-28(3)4)16-20-8-6-5-7-9-20/h5-9,14,18H,10-13,15-17H2,1-4H3