methyl 4-[(6-oxidanylidene-3H-purin-9-yl)methyl]benzoate

Systemtic Name: methyl 4-[(6-oxidanylidene-3H-purin-9-yl)methyl]benzoate Openeye Name: methyl 4-[(6-oxo-3H-purin-9-yl)methyl]benzoate CAS Name: 4-[(6-oxo-3H-purin-9-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-oxo-3H-purin-9-yl)methyl]benzoate Traditional Name: 4-[(6-keto-3H-purin-9-yl)methyl]benzoic acid methyl ester Formula: C14H12N4O3 MolecularWeight: 284.27008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C=NC3=C2NC=NC3=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C=NC3=C2NC=NC3=O

InChI

InChI=1S/C14H12N4O3/c1-21-14(20)10-4-2-9(3-5-10)6-18-8-17-11-12(18)15-7-16-13(11)19/h2-5,7-8H,6H2,1H3,(H,15,16,19)