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

Systemtic Name: N-(3-ethynylphenyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-(3-ethynylphenyl)-5-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-(3-ethynylphenyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-(3-ethynylphenyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: (3-ethynylphenyl)-[5-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C21H16N4 MolecularWeight: 324.37854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CNC3=C2C(=NC=N3)NC4=CC=CC(=C4)C#C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CNC3=C2C(=NC=N3)NC4=CC=CC(=C4)C#C

InChI

InChI=1S/C21H16N4/c1-3-15-5-4-6-17(11-15)25-21-19-18(12-22-20(19)23-13-24-21)16-9-7-14(2)8-10-16/h1,4-13H,2H3,(H2,22,23,24,25)