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

Systemtic Name: 2-[1,4-dimethyl-5-[(2-methylphenyl)methyl]-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-pentyl-ethanamide Openeye Name: 2-[1,4-dimethyl-5-(o-tolylmethyl)-6-oxo-pyrimidin-2-yl]sulfanyl-N-pentyl-acetamide CAS Name: 2-[[1,4-dimethyl-5-[(2-methylphenyl)methyl]-6-oxo-2-pyrimidinyl]thio]-N-pentylacetamide IUPAC Name: 2-[1,4-dimethyl-5-[(2-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanyl-N-pentylacetamide Traditional Name: N-amyl-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:

CCCCCNC(=O)CSC1=NC(=C(C(=O)N1C)CC2=CC=CC=C2C)C

Isomeric SMILES

CCCCCNC(=O)CSC1=NC(=C(C(=O)N1C)CC2=CC=CC=C2C)C

InChI

InChI=1S/C21H29N3O2S/c1-5-6-9-12-22-19(25)14-27-21-23-16(3)18(20(26)24(21)4)13-17-11-8-7-10-15(17)2/h7-8,10-11H,5-6,9,12-14H2,1-4H3,(H,22,25)