9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidine-4-thiolate

Systemtic Name: 9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidine-4-thiolate Openeye Name: 9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidine-4-thiolate CAS Name: 9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidine-4-thiolate IUPAC Name: 9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidine-4-thiolate Traditional Name: 9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidine-4-thiolate Formula: C18H13N2O2S- MolecularWeight: 321.37302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC3=C(C2)C(=NC(=N3)C4=CC=CC=C4)[S-]

Isomeric SMILES

COC1=CC=CC2=C1OC3=C(C2)C(=NC(=N3)C4=CC=CC=C4)[S-]

InChI

InChI=1S/C18H14N2O2S/c1-21-14-9-5-8-12-10-13-17(22-15(12)14)19-16(20-18(13)23)11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,19,20,23)/p-1