N-(3-ethynylphenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(3-ethynylphenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-(3-ethynylphenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-(3-ethynylphenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-(3-ethynylphenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: (3-ethynylphenyl)-[5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C21H16N4O MolecularWeight: 340.37794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CNC3=C2C(=NC=N3)NC4=CC=CC(=C4)C#C

Isomeric SMILES

COC1=CC=C(C=C1)C2=CNC3=C2C(=NC=N3)NC4=CC=CC(=C4)C#C

InChI

InChI=1S/C21H16N4O/c1-3-14-5-4-6-16(11-14)25-21-19-18(12-22-20(19)23-13-24-21)15-7-9-17(26-2)10-8-15/h1,4-13H,2H3,(H2,22,23,24,25)