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

Systemtic Name: N-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)butanamide CAS Name: N-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)butanamide Traditional Name: 4-[[5-benzyl-6-keto-4-(methoxymethyl)-1-methyl-pyrimidin-2-yl]thio]-N-(3,4-dimethylphenyl)butyramide Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCCSC2=NC(=C(C(=O)N2C)CC3=CC=CC=C3)COC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCCSC2=NC(=C(C(=O)N2C)CC3=CC=CC=C3)COC)C

InChI

InChI=1S/C26H31N3O3S/c1-18-12-13-21(15-19(18)2)27-24(30)11-8-14-33-26-28-23(17-32-4)22(25(31)29(26)3)16-20-9-6-5-7-10-20/h5-7,9-10,12-13,15H,8,11,14,16-17H2,1-4H3,(H,27,30)