(2S)-N-butyl-2-[1,4-dimethyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanyl-pentanamide

Systemtic Name: (2S)-N-butyl-2-[1,4-dimethyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanyl-pentanamide Openeye Name: (2S)-2-(5-benzyl-1,4-dimethyl-6-oxo-pyrimidin-2-yl)sulfanyl-N-butyl-pentanamide CAS Name: (2S)-N-butyl-2-[[1,4-dimethyl-6-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]pentanamide IUPAC Name: (2S)-2-(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-butylpentanamide Traditional Name: (2S)-2-[(5-benzyl-6-keto-1,4-dimethyl-pyrimidin-2-yl)thio]-N-butyl-valeramide Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CCC)SC1=NC(=C(C(=O)N1C)CC2=CC=CC=C2)C

Isomeric SMILES

CCCCNC(=O)[C@H](CCC)SC1=NC(=C(C(=O)N1C)CC2=CC=CC=C2)C

InChI

InChI=1S/C22H31N3O2S/c1-5-7-14-23-20(26)19(11-6-2)28-22-24-16(3)18(21(27)25(22)4)15-17-12-9-8-10-13-17/h8-10,12-13,19H,5-7,11,14-15H2,1-4H3,(H,23,26)/t19-/m0/s1