6-methoxy-2-[(1-methyl-3-oxidanylidene-1H-2-benzofuran-4-yl)sulfanyl]pyrimidine-4-carbaldehyde

Systemtic Name: 6-methoxy-2-[(1-methyl-3-oxidanylidene-1H-2-benzofuran-4-yl)sulfanyl]pyrimidine-4-carbaldehyde Openeye Name: 6-methoxy-2-[(1-methyl-3-oxo-1H-isobenzofuran-4-yl)sulfanyl]pyrimidine-4-carbaldehyde CAS Name: 6-methoxy-2-[(1-methyl-3-oxo-1H-isobenzofuran-4-yl)thio]-4-pyrimidinecarboxaldehyde IUPAC Name: 6-methoxy-2-[(1-methyl-3-oxo-1H-2-benzofuran-4-yl)sulfanyl]pyrimidine-4-carbaldehyde Traditional Name: 2-[(3-keto-1-methyl-phthalan-4-yl)thio]-6-methoxy-pyrimidine-4-carbaldehyde Formula: C15H12N2O4S MolecularWeight: 316.33178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C(=CC=C2)SC3=NC(=CC(=N3)OC)C=O)C(=O)O1

Isomeric SMILES

CC1C2=C(C(=CC=C2)SC3=NC(=CC(=N3)OC)C=O)C(=O)O1

InChI

InChI=1S/C15H12N2O4S/c1-8-10-4-3-5-11(13(10)14(19)21-8)22-15-16-9(7-18)6-12(17-15)20-2/h3-8H,1-2H3