2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-pentanal

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-pentanal Openeye Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-pentanal CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-methylpentanal IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methylpentanal Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-methyl-valeraldehyde Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C=O)SC1=NC(=CC(=N1)OC)OC

Isomeric SMILES

CCC(C)C(C=O)SC1=NC(=CC(=N1)OC)OC

InChI

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