methyl 6-oxidanylidene-9-(phenylmethyl)-3H-purine-2-carboxylate

Systemtic Name: methyl 6-oxidanylidene-9-(phenylmethyl)-3H-purine-2-carboxylate Openeye Name: methyl 9-benzyl-6-oxo-3H-purine-2-carboxylate CAS Name: 6-oxo-9-(phenylmethyl)-3H-purine-2-carboxylic acid methyl ester IUPAC Name: methyl 9-benzyl-6-oxo-3H-purine-2-carboxylate Traditional Name: 9-benzyl-6-keto-3H-purine-2-carboxylic acid methyl ester Formula: C14H12N4O3 MolecularWeight: 284.27008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=O)C2=C(N1)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=NC(=O)C2=C(N1)N(C=N2)CC3=CC=CC=C3

InChI

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