2-(4-ethoxyphenyl)-9-methoxy-5H-chromeno[2,3-d]pyrimidine-4-thiolate

Systemtic Name: 2-(4-ethoxyphenyl)-9-methoxy-5H-chromeno[2,3-d]pyrimidine-4-thiolate Openeye Name: 2-(4-ethoxyphenyl)-9-methoxy-5H-chromeno[2,3-d]pyrimidine-4-thiolate CAS Name: 2-(4-ethoxyphenyl)-9-methoxy-5H-[1]benzopyrano[2,3-d]pyrimidine-4-thiolate IUPAC Name: 2-(4-ethoxyphenyl)-9-methoxy-5H-chromeno[2,3-d]pyrimidine-4-thiolate Traditional Name: 9-methoxy-2-p-phenetyl-5H-chromeno[2,3-d]pyrimidine-4-thiolate Formula: C20H17N2O3S- MolecularWeight: 365.42558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(CC4=C(O3)C(=CC=C4)OC)C(=N2)[S-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(CC4=C(O3)C(=CC=C4)OC)C(=N2)[S-]

InChI

InChI=1S/C20H18N2O3S/c1-3-24-14-9-7-12(8-10-14)18-21-19-15(20(26)22-18)11-13-5-4-6-16(23-2)17(13)25-19/h4-10H,3,11H2,1-2H3,(H,21,22,26)/p-1