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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S/c1-12(2)17(13-8-6-5-7-9-13)14(11-21)24-18-19-15(22-3)10-16(20-18)23-4/h5-12,14,17H,1-4H3