ethyl 6-methyl-4-oxidanylidene-3-[[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]furo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-4-oxidanylidene-3-[[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 3-[(3-benzyl-1H-imidazol-3-ium-2-yl)methyl]-6-methyl-4-oxo-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 6-methyl-4-oxo-3-[[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-benzyl-1H-imidazol-3-ium-2-yl)methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 3-[(3-benzyl-1H-imidazol-3-ium-2-yl)methyl]-4-keto-6-methyl-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21N4O4+ MolecularWeight: 393.41584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=O)N(C=N2)CC3=[N+](C=CN3)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=O)N(C=N2)CC3=[N+](C=CN3)CC4=CC=CC=C4)C

InChI

InChI=1S/C21H20N4O4/c1-3-28-21(27)17-14(2)29-19-18(17)20(26)25(13-23-19)12-16-22-9-10-24(16)11-15-7-5-4-6-8-15/h4-10,13H,3,11-12H2,1-2H3/p+1