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

Systemtic Name: 5-(4-chlorophenyl)-N-(3-ethynylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 5-(4-chlorophenyl)-N-(3-ethynylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 5-(4-chlorophenyl)-N-(3-ethynylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: 5-(4-chlorophenyl)-N-(3-ethynylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [5-(4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-(3-ethynylphenyl)amine Formula: C20H13ClN4 MolecularWeight: 344.79702

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C(=CN3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C(=CN3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H13ClN4/c1-2-13-4-3-5-16(10-13)25-20-18-17(11-22-19(18)23-12-24-20)14-6-8-15(21)9-7-14/h1,3-12H,(H2,22,23,24,25)