tert-butyl 2-[1,4-dimethyl-5-[(2-methylphenyl)methyl]-6-oxidanylidene-pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[1,4-dimethyl-5-[(2-methylphenyl)methyl]-6-oxidanylidene-pyrimidin-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[1,4-dimethyl-5-(o-tolylmethyl)-6-oxo-pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[1,4-dimethyl-5-[(2-methylphenyl)methyl]-6-oxo-2-pyrimidinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1,4-dimethyl-5-[(2-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[6-keto-1,4-dimethyl-5-(2-methylbenzyl)pyrimidin-2-yl]thio]acetic acid tert-butyl ester Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3S/c1-13-9-7-8-10-15(13)11-16-14(2)21-19(22(6)18(16)24)26-12-17(23)25-20(3,4)5/h7-10H,11-12H2,1-6H3