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

Systemtic Name: ethyl 6-oxidanylidene-9-(phenylmethyl)-3H-purine-2-carboxylate Openeye Name: ethyl 9-benzyl-6-oxo-3H-purine-2-carboxylate CAS Name: 6-oxo-9-(phenylmethyl)-3H-purine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 9-benzyl-6-oxo-3H-purine-2-carboxylate Traditional Name: 9-benzyl-6-keto-3H-purine-2-carboxylic acid ethyl ester Formula: C15H14N4O3 MolecularWeight: 298.29666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O3/c1-2-22-15(21)12-17-13-11(14(20)18-12)16-9-19(13)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,17,18,20)