[2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-3-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-3-yl]methyl 2,2-dimethylpropanoate Openeye Name: (7-benzyl-2,6-dioxo-purin-3-yl)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2,6-dioxo-7-(phenylmethyl)-3-purinyl]methyl ester IUPAC Name: (7-benzyl-2,6-dioxopurin-3-yl)methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (7-benzyl-2,6-diketo-purin-3-yl)methyl ester Formula: C18H20N4O4 MolecularWeight: 356.3758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)OCN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C18H20N4O4/c1-18(2,3)16(24)26-11-22-14-13(15(23)20-17(22)25)21(10-19-14)9-12-7-5-4-6-8-12/h4-8,10H,9,11H2,1-3H3,(H,20,23,25)