3-octoxybenzamide; 7H-purin-6-amine

Systemtic Name: 3-octoxybenzamide; 7H-purin-6-amine Openeye Name: 3-octoxybenzamide; 7H-purin-6-amine CAS Name: 3-octoxybenzamide; 7H-purin-6-amine IUPAC Name: 3-octoxybenzamide; 7H-purin-6-amine Traditional Name: 7H-adenine; 3-octoxybenzamide Formula: C20H28N6O2 MolecularWeight: 384.47532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC(=C1)C(=O)N.C1=NC2=C(N1)C(=NC=N2)N

Isomeric SMILES

CCCCCCCCOC1=CC=CC(=C1)C(=O)N.C1=NC2=C(N1)C(=NC=N2)N

InChI

InChI=1S/C15H23NO2.C5H5N5/c1-2-3-4-5-6-7-11-18-14-10-8-9-13(12-14)15(16)17;6-4-3-5(9-1-7-3)10-2-8-4/h8-10,12H,2-7,11H2,1H3,(H2,16,17);1-2H,(H3,6,7,8,9,10)