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

Systemtic Name: ethyl 2-(azocan-1-ium-1-ylmethyl)-6-methyl-4-oxidanylidene-3H-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(azocan-1-ium-1-ylmethyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 2-(1-azocan-1-iumylmethyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(azocan-1-ium-1-ylmethyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-4-keto-6-methyl-3H-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H26N3O4+ MolecularWeight: 348.41674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=O)NC(=N2)C[NH+]3CCCCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=O)NC(=N2)C[NH+]3CCCCCCC3)C

InChI

InChI=1S/C18H25N3O4/c1-3-24-18(23)14-12(2)25-17-15(14)16(22)19-13(20-17)11-21-9-7-5-4-6-8-10-21/h3-11H2,1-2H3,(H,19,20,22)/p+1