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

Systemtic Name: 4-[4-(methoxymethyl)-1-methyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanyl-N-phenethyl-butanamide Openeye Name: 4-[5-benzyl-4-(methoxymethyl)-1-methyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-phenethyl-butanamide CAS Name: 4-[[4-(methoxymethyl)-1-methyl-6-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]-N-phenethylbutanamide IUPAC Name: 4-[5-benzyl-4-(methoxymethyl)-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-phenethylbutanamide Traditional Name: 4-[[5-benzyl-6-keto-4-(methoxymethyl)-1-methyl-pyrimidin-2-yl]thio]-N-phenethyl-butyramide Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1SCCCC(=O)NCCC2=CC=CC=C2)COC)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C(=C(N=C1SCCCC(=O)NCCC2=CC=CC=C2)COC)CC3=CC=CC=C3

InChI

InChI=1S/C26H31N3O3S/c1-29-25(31)22(18-21-12-7-4-8-13-21)23(19-32-2)28-26(29)33-17-9-14-24(30)27-16-15-20-10-5-3-6-11-20/h3-8,10-13H,9,14-19H2,1-2H3,(H,27,30)