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

Systemtic Name: ethyl 6-methyl-4-oxidanylidene-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-3H-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-4-oxo-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-3H-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 6-methyl-4-oxo-2-[[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-3H-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-oxo-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-3H-furo[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-keto-6-methyl-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-3H-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H22N3O4S+ MolecularWeight: 388.46068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=O)NC(=N2)C[NH+]3CCCC3C4=CC=CS4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=O)NC(=N2)C[NH+]3CCC[C@H]3C4=CC=CS4)C

InChI

InChI=1S/C19H21N3O4S/c1-3-25-19(24)15-11(2)26-18-16(15)17(23)20-14(21-18)10-22-8-4-6-12(22)13-7-5-9-27-13/h5,7,9,12H,3-4,6,8,10H2,1-2H3,(H,20,21,23)/p+1/t12-/m0/s1