4-[4-(methoxymethyl)-1-methyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanyl-N-(3-methoxypropyl)butanamide

Systemtic Name: 4-[4-(methoxymethyl)-1-methyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanyl-N-(3-methoxypropyl)butanamide Openeye Name: 4-[5-benzyl-4-(methoxymethyl)-1-methyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-(3-methoxypropyl)butanamide CAS Name: 4-[[4-(methoxymethyl)-1-methyl-6-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]-N-(3-methoxypropyl)butanamide IUPAC Name: 4-[5-benzyl-4-(methoxymethyl)-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-(3-methoxypropyl)butanamide Traditional Name: 4-[[5-benzyl-6-keto-4-(methoxymethyl)-1-methyl-pyrimidin-2-yl]thio]-N-(3-methoxypropyl)butyramide Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1SCCCC(=O)NCCCOC)COC)CC2=CC=CC=C2

Isomeric SMILES

CN1C(=O)C(=C(N=C1SCCCC(=O)NCCCOC)COC)CC2=CC=CC=C2

InChI

InChI=1S/C22H31N3O4S/c1-25-21(27)18(15-17-9-5-4-6-10-17)19(16-29-3)24-22(25)30-14-7-11-20(26)23-12-8-13-28-2/h4-6,9-10H,7-8,11-16H2,1-3H3,(H,23,26)