methyl 5-(2-phenylethynyl)pyrimido[1,6-a]indole-3-carboxylate

Systemtic Name: methyl 5-(2-phenylethynyl)pyrimido[1,6-a]indole-3-carboxylate Openeye Name: methyl 5-(2-phenylethynyl)pyrimido[1,6-a]indole-3-carboxylate CAS Name: 5-(2-phenylethynyl)-3-pyrimido[1,6-a]indolecarboxylic acid methyl ester IUPAC Name: methyl 5-(2-phenylethynyl)pyrimido[1,6-a]indole-3-carboxylate Traditional Name: 5-(2-phenylethynyl)pyrimid[1,6-a]indole-3-carboxylic acid methyl ester Formula: C21H14N2O2 MolecularWeight: 326.34806

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C3=CC=CC=C3N2C=N1)C#CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C3=CC=CC=C3N2C=N1)C#CC4=CC=CC=C4

InChI

InChI=1S/C21H14N2O2/c1-25-21(24)18-13-20-17(12-11-15-7-3-2-4-8-15)16-9-5-6-10-19(16)23(20)14-22-18/h2-10,13-14H,1H3