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

Systemtic Name: N-(3-ethynylphenyl)-2-(3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-(3-ethynylphenyl)-2-(m-tolyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-(3-ethynylphenyl)-2-(3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-(3-ethynylphenyl)-2-(3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: (3-ethynylphenyl)-[2-(m-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=CC(=C1)C2=NC3=C(C=CN3)C(=N2)NC4=CC=CC(=C4)C#C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(C=CN3)C(=N2)NC4=CC=CC(=C4)C#C

InChI

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