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

Systemtic Name: ethyl 3-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl]benzofuran-2-carboxylate CAS Name: 3-[(1,3-dimethyl-2,6-dioxo-7-purinyl)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methyl]coumarilic acid ethyl ester Formula: C19H18N4O5 MolecularWeight: 382.37002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C19H18N4O5/c1-4-27-18(25)15-12(11-7-5-6-8-13(11)28-15)9-23-10-20-16-14(23)17(24)22(3)19(26)21(16)2/h5-8,10H,4,9H2,1-3H3