2-[1,4-dimethyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanyl-N-propyl-hexanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCCC)SC1=NC(=C(C(=O)N1C)CC2=CC=CC=C2)C

Isomeric SMILES

CCCCC(C(=O)NCCC)SC1=NC(=C(C(=O)N1C)CC2=CC=CC=C2)C

InChI

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