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

Systemtic Name: 2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-N-[(3S)-2-oxidanylideneazepan-3-yl]ethanamide Openeye Name: 2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-N-[(3S)-2-oxoazepan-3-yl]acetamide CAS Name: 2-[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]-N-[(3S)-2-oxo-3-azepanyl]acetamide IUPAC Name: 2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-N-[(3S)-2-oxoazepan-3-yl]acetamide Traditional Name: 2-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]-N-[(3S)-2-ketoazepan-3-yl]acetamide Formula: C18H28ClN5O2S MolecularWeight: 413.96522

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)NC2CCCCNC2=O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H28ClN5O2S/c1-3-9-24(10-4-2)15-11-14(19)22-18(23-15)27-12-16(25)21-13-7-5-6-8-20-17(13)26/h11,13H,3-10,12H2,1-2H3,(H,20,26)(H,21,25)/t13-/m0/s1