2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-N-(4-phenylbutan-2-yl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-N-(4-phenylbutan-2-yl)ethanamide Openeye Name: 2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-N-(1-methyl-3-phenyl-propyl)acetamide CAS Name: 2-[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]-N-(4-phenylbutan-2-yl)acetamide IUPAC Name: 2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-N-(4-phenylbutan-2-yl)acetamide Traditional Name: 2-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]-N-(1-methyl-3-phenyl-propyl)acetamide Formula: C22H31ClN4OS MolecularWeight: 435.02574

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)NC(C)CCC2=CC=CC=C2)Cl

Isomeric SMILES

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)NC(C)CCC2=CC=CC=C2)Cl

InChI

InChI=1S/C22H31ClN4OS/c1-4-13-27(14-5-2)20-15-19(23)25-22(26-20)29-16-21(28)24-17(3)11-12-18-9-7-6-8-10-18/h6-10,15,17H,4-5,11-14,16H2,1-3H3,(H,24,28)