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

Systemtic Name: 2-[4-chloranyl-6-[(3S)-4-ethanoyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)ethanamide Openeye Name: 2-[4-[(3S)-4-acetyl-3-methyl-piperazin-1-yl]-6-chloro-pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide CAS Name: 2-[[4-[(3S)-4-acetyl-3-methyl-1-piperazinyl]-6-chloro-2-pyrimidinyl]thio]-N-(2-methoxyethyl)acetamide IUPAC Name: 2-[4-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-6-chloropyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide Traditional Name: 2-[[4-[(3S)-4-acetyl-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-N-(2-methoxyethyl)acetamide Formula: C16H24ClN5O3S MolecularWeight: 401.91146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)NCCOC)Cl

InChI

InChI=1S/C16H24ClN5O3S/c1-11-9-21(5-6-22(11)12(2)23)14-8-13(17)19-16(20-14)26-10-15(24)18-4-7-25-3/h8,11H,4-7,9-10H2,1-3H3,(H,18,24)/t11-/m0/s1