6-ethynyl-9-(phenylmethyl)purin-2-amine

Systemtic Name: 6-ethynyl-9-(phenylmethyl)purin-2-amine Openeye Name: 9-benzyl-6-ethynyl-purin-2-amine CAS Name: 6-ethynyl-9-(phenylmethyl)-2-purinamine IUPAC Name: 9-benzyl-6-ethynylpurin-2-amine Traditional Name: (9-benzyl-6-ethynyl-purin-2-yl)amine Formula: C14H11N5 MolecularWeight: 249.27064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C2C(=NC(=N1)N)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

C#CC1=C2C(=NC(=N1)N)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C14H11N5/c1-2-11-12-13(18-14(15)17-11)19(9-16-12)8-10-6-4-3-5-7-10/h1,3-7,9H,8H2,(H2,15,17,18)