methyl 2-[6-methyl-2-(2-methylpropylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoate

Systemtic Name: methyl 2-[6-methyl-2-(2-methylpropylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoate Openeye Name: methyl 2-(2-isobutylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)acetate CAS Name: 2-[6-methyl-2-(2-methylpropylthio)-4-oxo-1H-pyrimidin-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-methyl-2-(2-methylpropylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]acetate Traditional Name: 2-[2-(isobutylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]acetic acid methyl ester Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O3S/c1-7(2)6-18-12-13-8(3)9(11(16)14-12)5-10(15)17-4/h7H,5-6H2,1-4H3,(H,13,14,16)