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

Systemtic Name: N-hexyl-4-[4-(methoxymethyl)-1-methyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanyl-butanamide Openeye Name: 4-[5-benzyl-4-(methoxymethyl)-1-methyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-hexyl-butanamide CAS Name: N-hexyl-4-[[4-(methoxymethyl)-1-methyl-6-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]butanamide IUPAC Name: 4-[5-benzyl-4-(methoxymethyl)-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-hexylbutanamide Traditional Name: 4-[[5-benzyl-6-keto-4-(methoxymethyl)-1-methyl-pyrimidin-2-yl]thio]-N-hexyl-butyramide Formula: C24H35N3O3S MolecularWeight: 445.618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CCCSC1=NC(=C(C(=O)N1C)CC2=CC=CC=C2)COC

Isomeric SMILES

CCCCCCNC(=O)CCCSC1=NC(=C(C(=O)N1C)CC2=CC=CC=C2)COC

InChI

InChI=1S/C24H35N3O3S/c1-4-5-6-10-15-25-22(28)14-11-16-31-24-26-21(18-30-3)20(23(29)27(24)2)17-19-12-8-7-9-13-19/h7-9,12-13H,4-6,10-11,14-18H2,1-3H3,(H,25,28)