[2-azanyl-6-(cyclopropylamino)purin-9-yl] benzoate

Systemtic Name: [2-azanyl-6-(cyclopropylamino)purin-9-yl] benzoate Openeye Name: [2-amino-6-(cyclopropylamino)purin-9-yl] benzoate CAS Name: benzoic acid [2-amino-6-(cyclopropylamino)-9-purinyl] ester IUPAC Name: [2-amino-6-(cyclopropylamino)purin-9-yl] benzoate Traditional Name: benzoic acid [2-amino-6-(cyclopropylamino)purin-9-yl] ester Formula: C15H14N6O2 MolecularWeight: 310.31066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=C2N=CN3OC(=O)C4=CC=CC=C4)N

Isomeric SMILES

C1CC1NC2=NC(=NC3=C2N=CN3OC(=O)C4=CC=CC=C4)N

InChI

InChI=1S/C15H14N6O2/c16-15-19-12(18-10-6-7-10)11-13(20-15)21(8-17-11)23-14(22)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H3,16,18,19,20)