4-chloranyl-5-(2-phenylethynyl)-7H-pyrrolo[2,3-d]pyrimidine

Systemtic Name: 4-chloranyl-5-(2-phenylethynyl)-7H-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-chloro-5-(2-phenylethynyl)-7H-pyrrolo[2,3-d]pyrimidine CAS Name: 4-chloro-5-(2-phenylethynyl)-7H-pyrrolo[2,3-d]pyrimidine IUPAC Name: 4-chloro-5-(2-phenylethynyl)-7H-pyrrolo[2,3-d]pyrimidine Traditional Name: 4-chloro-5-(2-phenylethynyl)-7H-pyrrolo[2,3-d]pyrimidine Formula: C14H8ClN3 MolecularWeight: 253.68642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CNC3=C2C(=NC=N3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CNC3=C2C(=NC=N3)Cl

InChI

InChI=1S/C14H8ClN3/c15-13-12-11(8-16-14(12)18-9-17-13)7-6-10-4-2-1-3-5-10/h1-5,8-9H,(H,16,17,18)