methyl 5-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)methyl]furan-2-carboxylate Openeye Name: methyl 5-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)methyl]furan-2-carboxylate CAS Name: 5-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(2-amino-6-keto-3,7-dihydropurin-8-yl)methyl]furan-2-carboxylic acid methyl ester Formula: C12H11N5O4 MolecularWeight: 289.24684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CC2=NC3=C(N2)C(=O)N=C(N3)N

Isomeric SMILES

COC(=O)C1=CC=C(O1)CC2=NC3=C(N2)C(=O)N=C(N3)N

InChI

InChI=1S/C12H11N5O4/c1-20-11(19)6-3-2-5(21-6)4-7-14-8-9(15-7)16-12(13)17-10(8)18/h2-3H,4H2,1H3,(H4,13,14,15,16,17,18)