methyl 6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purine-2-carboxylate

Systemtic Name: methyl 6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purine-2-carboxylate Openeye Name: methyl 6-amino-9-benzyl-8-oxo-7H-purine-2-carboxylate CAS Name: 6-amino-8-oxo-9-(phenylmethyl)-7H-purine-2-carboxylic acid methyl ester IUPAC Name: methyl 6-amino-9-benzyl-8-oxo-7H-purine-2-carboxylate Traditional Name: 6-amino-9-benzyl-8-keto-7H-purine-2-carboxylic acid methyl ester Formula: C14H13N5O3 MolecularWeight: 299.28472

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C14H13N5O3/c1-22-13(20)11-17-10(15)9-12(18-11)19(14(21)16-9)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,16,21)(H2,15,17,18)