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

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-3-phenyl-pentanal Openeye Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-3-phenyl-pentanal CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-methyl-3-phenylpentanal IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-3-phenylpentanal Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-methyl-3-phenyl-valeraldehyde Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C1=CC=CC=C1)C(C=O)SC2=NC(=CC(=N2)OC)OC

Isomeric SMILES

CCC(C)(C1=CC=CC=C1)C(C=O)SC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C18H22N2O3S/c1-5-18(2,13-9-7-6-8-10-13)14(12-21)24-17-19-15(22-3)11-16(20-17)23-4/h6-12,14H,5H2,1-4H3