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

Systemtic Name: methyl 2-[1,4-dimethyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: methyl 2-(5-benzyl-1,4-dimethyl-6-oxo-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[[1,4-dimethyl-6-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(5-benzyl-6-keto-1,4-dimethyl-pyrimidin-2-yl)thio]acetic acid methyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCC(=O)OC)C)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCC(=O)OC)C)CC2=CC=CC=C2

InChI

InChI=1S/C16H18N2O3S/c1-11-13(9-12-7-5-4-6-8-12)15(20)18(2)16(17-11)22-10-14(19)21-3/h4-8H,9-10H2,1-3H3