2-[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl-N-[(3S)-2-oxidanylideneazepan-3-yl]ethanamide

Systemtic Name: 2-[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl-N-[(3S)-2-oxidanylideneazepan-3-yl]ethanamide Openeye Name: 2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-N-[(3S)-2-oxoazepan-3-yl]acetamide CAS Name: 2-[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]-N-[(3S)-2-oxo-3-azepanyl]acetamide IUPAC Name: 2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-N-[(3S)-2-oxoazepan-3-yl]acetamide Traditional Name: 2-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]-N-[(3S)-2-ketoazepan-3-yl]acetamide Formula: C16H24ClN5O2S MolecularWeight: 385.91206

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=NC(=N1)SCC(=O)NC2CCCCNC2=O)Cl

Isomeric SMILES

CCN(CC)C1=CC(=NC(=N1)SCC(=O)N[C@H]2CCCCNC2=O)Cl

InChI

InChI=1S/C16H24ClN5O2S/c1-3-22(4-2)13-9-12(17)20-16(21-13)25-10-14(23)19-11-7-5-6-8-18-15(11)24/h9,11H,3-8,10H2,1-2H3,(H,18,24)(H,19,23)/t11-/m0/s1