2-(6-aminopurin-9-yl)-1-(4-propan-2-ylphenyl)ethanone

Systemtic Name: 2-(6-aminopurin-9-yl)-1-(4-propan-2-ylphenyl)ethanone Openeye Name: 2-(6-aminopurin-9-yl)-1-(4-isopropylphenyl)ethanone CAS Name: 2-(6-aminopurin-9-yl)-1-(4-propan-2-ylphenyl)ethanone IUPAC Name: 2-(6-aminopurin-9-yl)-1-(4-propan-2-ylphenyl)ethanone Traditional Name: 2-adenin-9-yl-1-p-cumenyl-ethanone Formula: C16H17N5O MolecularWeight: 295.33908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)CN2C=NC3=C2N=CN=C3N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)CN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C16H17N5O/c1-10(2)11-3-5-12(6-4-11)13(22)7-21-9-20-14-15(17)18-8-19-16(14)21/h3-6,8-10H,7H2,1-2H3,(H2,17,18,19)