4-[(3-ethynylphenyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Systemtic Name: 4-[(3-ethynylphenyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Openeye Name: 4-(3-ethynylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile CAS Name: 4-(3-ethynylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile IUPAC Name: 4-(3-ethynylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Traditional Name: 4-(3-ethynylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Formula: C15H9N5 MolecularWeight: 259.26546

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C(=CN3)C#N

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C(=CN3)C#N

InChI

InChI=1S/C15H9N5/c1-2-10-4-3-5-12(6-10)20-15-13-11(7-16)8-17-14(13)18-9-19-15/h1,3-6,8-9H,(H2,17,18,19,20)