2-[4-(methoxymethyl)-1-methyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanyl-N-propyl-pentanamide

Systemtic Name: 2-[4-(methoxymethyl)-1-methyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanyl-N-propyl-pentanamide Openeye Name: 2-[5-benzyl-4-(methoxymethyl)-1-methyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-propyl-pentanamide CAS Name: 2-[[4-(methoxymethyl)-1-methyl-6-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]-N-propylpentanamide IUPAC Name: 2-[5-benzyl-4-(methoxymethyl)-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-propylpentanamide Traditional Name: 2-[[5-benzyl-6-keto-4-(methoxymethyl)-1-methyl-pyrimidin-2-yl]thio]-N-propyl-valeramide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3S/c1-5-10-19(20(26)23-13-6-2)29-22-24-18(15-28-4)17(21(27)25(22)3)14-16-11-8-7-9-12-16/h7-9,11-12,19H,5-6,10,13-15H2,1-4H3,(H,23,26)