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

Systemtic Name: 2-[4-chloranyl-6-[(3S)-4-ethanoyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-[(3S)-4-acetyl-3-methyl-piperazin-1-yl]-6-chloro-pyrimidin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide CAS Name: 2-[[4-[(3S)-4-acetyl-3-methyl-1-piperazinyl]-6-chloro-2-pyrimidinyl]thio]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-6-chloropyrimidin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide Traditional Name: 2-[[4-[(3S)-4-acetyl-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-N-(3-methoxypropyl)acetamide Formula: C17H26ClN5O3S MolecularWeight: 415.93804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26ClN5O3S/c1-12-10-22(6-7-23(12)13(2)24)15-9-14(18)20-17(21-15)27-11-16(25)19-5-4-8-26-3/h9,12H,4-8,10-11H2,1-3H3,(H,19,25)/t12-/m0/s1