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

Systemtic Name: 2-[1,4-dimethyl-5-[(2-methylphenyl)methyl]-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide Openeye Name: 2-[1,4-dimethyl-5-(o-tolylmethyl)-6-oxo-pyrimidin-2-yl]sulfanyl-N-isopentyl-acetamide CAS Name: 2-[[1,4-dimethyl-5-[(2-methylphenyl)methyl]-6-oxo-2-pyrimidinyl]thio]-N-(3-methylbutyl)acetamide IUPAC Name: 2-[1,4-dimethyl-5-[(2-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide Traditional Name: N-isoamyl-2-[[6-keto-1,4-dimethyl-5-(2-methylbenzyl)pyrimidin-2-yl]thio]acetamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2=C(N=C(N(C2=O)C)SCC(=O)NCCC(C)C)C

Isomeric SMILES

CC1=CC=CC=C1CC2=C(N=C(N(C2=O)C)SCC(=O)NCCC(C)C)C

InChI

InChI=1S/C21H29N3O2S/c1-14(2)10-11-22-19(25)13-27-21-23-16(4)18(20(26)24(21)5)12-17-9-7-6-8-15(17)3/h6-9,14H,10-13H2,1-5H3,(H,22,25)