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

Systemtic Name: N-butyl-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-butyl-butanamide CAS Name: N-butyl-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-butylbutanamide Traditional Name: 4-[[5-benzyl-6-keto-4-(methoxymethyl)-1-methyl-pyrimidin-2-yl]thio]-N-butyl-butyramide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3S/c1-4-5-13-23-20(26)12-9-14-29-22-24-19(16-28-3)18(21(27)25(22)2)15-17-10-7-6-8-11-17/h6-8,10-11H,4-5,9,12-16H2,1-3H3,(H,23,26)