2-tert-butyl-8-[2-(4-methoxyphenyl)ethynyl]-4-(2-phenylethynyl)pyrido[4,3-d]pyrimidine

Systemtic Name: 2-tert-butyl-8-[2-(4-methoxyphenyl)ethynyl]-4-(2-phenylethynyl)pyrido[4,3-d]pyrimidine Openeye Name: 2-tert-butyl-8-[2-(4-methoxyphenyl)ethynyl]-4-(2-phenylethynyl)pyrido[4,3-d]pyrimidine CAS Name: 2-tert-butyl-8-[2-(4-methoxyphenyl)ethynyl]-4-(2-phenylethynyl)pyrido[4,3-d]pyrimidine IUPAC Name: 2-tert-butyl-8-[2-(4-methoxyphenyl)ethynyl]-4-(2-phenylethynyl)pyrido[4,3-d]pyrimidine Traditional Name: 2-tert-butyl-8-[2-(4-methoxyphenyl)ethynyl]-4-(2-phenylethynyl)pyrido[4,3-d]pyrimidine Formula: C28H23N3O MolecularWeight: 417.50172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=C2C=NC=C(C2=N1)C#CC3=CC=C(C=C3)OC)C#CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NC(=C2C=NC=C(C2=N1)C#CC3=CC=C(C=C3)OC)C#CC4=CC=CC=C4

InChI

InChI=1S/C28H23N3O/c1-28(2,3)27-30-25(17-13-20-8-6-5-7-9-20)24-19-29-18-22(26(24)31-27)14-10-21-11-15-23(32-4)16-12-21/h5-9,11-12,15-16,18-19H,1-4H3