2-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-[(2R)-4-phenylbutan-2-yl]ethanamide

Systemtic Name: 2-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-[(2R)-4-phenylbutan-2-yl]ethanamide Openeye Name: 2-[(7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide CAS Name: 2-[(7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-N-[(2R)-4-phenylbutan-2-yl]acetamide IUPAC Name: 2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide Traditional Name: 2-[(4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methylthio]-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CSCC(=O)NC(C)CCC3=CC=CC=C3)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CSCC(=O)N[C@H](C)CCC3=CC=CC=C3)C=C1

InChI

InChI=1S/C22H25N3O2S/c1-16-8-11-20-24-19(12-22(27)25(20)13-16)14-28-15-21(26)23-17(2)9-10-18-6-4-3-5-7-18/h3-8,11-13,17H,9-10,14-15H2,1-2H3,(H,23,26)/t17-/m1/s1