2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-2-(4-nitrophenyl)ethanal

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-2-(4-nitrophenyl)ethanal Openeye Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-2-(4-nitrophenyl)acetaldehyde CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-2-(4-nitrophenyl)acetaldehyde IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-2-(4-nitrophenyl)acetaldehyde Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)thio]-2-(4-nitrophenyl)acetaldehyde Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)SC(C=O)C2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=NC(=N1)SC(C=O)C2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C14H13N3O5S/c1-21-12-7-13(22-2)16-14(15-12)23-11(8-18)9-3-5-10(6-4-9)17(19)20/h3-8,11H,1-2H3