methyl 5-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl]furan-2-carboxylate CAS Name: 5-[(1,3-dimethyl-2,6-dioxo-7-purinyl)methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methyl]furan-2-carboxylic acid methyl ester Formula: C14H14N4O5 MolecularWeight: 318.28476

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C14H14N4O5/c1-16-11-10(12(19)17(2)14(16)21)18(7-15-11)6-8-4-5-9(23-8)13(20)22-3/h4-5,7H,6H2,1-3H3