ethyl 4-[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxidanylidene-pyrimidin-2-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxidanylidene-pyrimidin-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-[1,4-dimethyl-5-(m-tolylmethyl)-6-oxo-pyrimidin-2-yl]sulfanylbutanoate CAS Name: 4-[[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxo-2-pyrimidinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanylbutanoate Traditional Name: 4-[[6-keto-1,4-dimethyl-5-(3-methylbenzyl)pyrimidin-2-yl]thio]butyric acid ethyl ester Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC(=C(C(=O)N1C)CC2=CC=CC(=C2)C)C

Isomeric SMILES

CCOC(=O)CCCSC1=NC(=C(C(=O)N1C)CC2=CC=CC(=C2)C)C

InChI

InChI=1S/C20H26N2O3S/c1-5-25-18(23)10-7-11-26-20-21-15(3)17(19(24)22(20)4)13-16-9-6-8-14(2)12-16/h6,8-9,12H,5,7,10-11,13H2,1-4H3