methyl 4-[(6-oxidanylidene-3,5-dihydropurin-2-yl)amino]benzoate

Systemtic Name: methyl 4-[(6-oxidanylidene-3,5-dihydropurin-2-yl)amino]benzoate Openeye Name: methyl 4-[(6-oxo-3,5-dihydropurin-2-yl)amino]benzoate CAS Name: 4-[(6-oxo-3,5-dihydropurin-2-yl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-oxo-3,5-dihydropurin-2-yl)amino]benzoate Traditional Name: 4-[(6-keto-3,5-dihydropurin-2-yl)amino]benzoic acid methyl ester Formula: C13H11N5O3 MolecularWeight: 285.25814

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=NC(=O)C3C(=NC=N3)N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=NC(=O)C3C(=NC=N3)N2

InChI

InChI=1S/C13H11N5O3/c1-21-12(20)7-2-4-8(5-3-7)16-13-17-10-9(11(19)18-13)14-6-15-10/h2-6,9H,1H3,(H2,14,15,16,17,18,19)