[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-methoxyethanoate

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-methoxyethanoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 2-methoxyacetate CAS Name: 2-methoxyacetic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 2-methoxyacetate Traditional Name: 2-methoxyacetic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C14H20N4O5 MolecularWeight: 324.3324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)COC)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)COC)C

InChI

InChI=1S/C14H20N4O5/c1-4-5-6-18-12-11(13(20)16-14(18)21)17(2)9(15-12)7-23-10(19)8-22-3/h4-8H2,1-3H3,(H,16,20,21)