7-bromanyl-2-(2,3-dimethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate

Systemtic Name: 7-bromanyl-2-(2,3-dimethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate Openeye Name: 7-bromo-2-(2,3-dimethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate CAS Name: 7-bromo-2-(2,3-dimethoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine-4-thiolate IUPAC Name: 7-bromo-2-(2,3-dimethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate Traditional Name: 7-bromo-2-(2,3-dimethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine-4-thiolate Formula: C19H14BrN2O3S- MolecularWeight: 430.29506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=NC3=C(CC4=C(O3)C=CC(=C4)Br)C(=N2)[S-]

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=NC3=C(CC4=C(O3)C=CC(=C4)Br)C(=N2)[S-]

InChI

InChI=1S/C19H15BrN2O3S/c1-23-15-5-3-4-12(16(15)24-2)17-21-18-13(19(26)22-17)9-10-8-11(20)6-7-14(10)25-18/h3-8H,9H2,1-2H3,(H,21,22,26)/p-1