3-methylbutyl 2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: 3-methylbutyl 2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: isopentyl 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetic acid isoamyl ester Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O3S/c1-8(2)4-5-17-11(16)7-18-12-13-9(3)6-10(15)14-12/h6,8H,4-5,7H2,1-3H3,(H,13,14,15)