5-[2-(4-chlorophenyl)ethynyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[2-(4-chlorophenyl)ethynyl]pyrimidine-2,4-diamine Openeye Name: 5-[2-(4-chlorophenyl)ethynyl]pyrimidine-2,4-diamine CAS Name: 5-[2-(4-chlorophenyl)ethynyl]pyrimidine-2,4-diamine IUPAC Name: 5-[2-(4-chlorophenyl)ethynyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amine Formula: C12H9ClN4 MolecularWeight: 244.67966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC2=CN=C(N=C2N)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C#CC2=CN=C(N=C2N)N)Cl

InChI

InChI=1S/C12H9ClN4/c13-10-5-2-8(3-6-10)1-4-9-7-16-12(15)17-11(9)14/h2-3,5-7H,(H4,14,15,16,17)