4-[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-phenethyl-butanamide

Systemtic Name: 4-[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-phenethyl-butanamide Openeye Name: 4-[1,4-dimethyl-5-(m-tolylmethyl)-6-oxo-pyrimidin-2-yl]sulfanyl-N-phenethyl-butanamide CAS Name: 4-[[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxo-2-pyrimidinyl]thio]-N-phenethylbutanamide IUPAC Name: 4-[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanyl-N-phenethylbutanamide Traditional Name: 4-[[6-keto-1,4-dimethyl-5-(3-methylbenzyl)pyrimidin-2-yl]thio]-N-phenethyl-butyramide Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=C(N=C(N(C2=O)C)SCCCC(=O)NCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)CC2=C(N=C(N(C2=O)C)SCCCC(=O)NCCC3=CC=CC=C3)C

InChI

InChI=1S/C26H31N3O2S/c1-19-9-7-12-22(17-19)18-23-20(2)28-26(29(3)25(23)31)32-16-8-13-24(30)27-15-14-21-10-5-4-6-11-21/h4-7,9-12,17H,8,13-16,18H2,1-3H3,(H,27,30)