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

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-3-naphthalen-2-yl-butanal Openeye Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-3-(2-naphthyl)butanal CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-methyl-3-(2-naphthalenyl)butanal IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-3-naphthalen-2-ylbutanal Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-methyl-3-(2-naphthyl)butyraldehyde Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC2=CC=CC=C2C=C1)C(C=O)SC3=NC(=CC(=N3)OC)OC

Isomeric SMILES

CC(C)(C1=CC2=CC=CC=C2C=C1)C(C=O)SC3=NC(=CC(=N3)OC)OC

InChI

InChI=1S/C21H22N2O3S/c1-21(2,16-10-9-14-7-5-6-8-15(14)11-16)17(13-24)27-20-22-18(25-3)12-19(23-20)26-4/h5-13,17H,1-4H3