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

Systemtic Name: ethyl 6-methyl-4-oxidanylidene-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3H-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-4-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3H-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 6-methyl-4-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3H-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3H-furo[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-keto-6-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3H-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H22N3O4+ MolecularWeight: 368.40638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=O)NC(=N2)C[NH+]3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=O)NC(=N2)C[NH+]3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C20H21N3O4/c1-3-26-20(25)16-12(2)27-19-17(16)18(24)21-15(22-19)11-23-9-8-13-6-4-5-7-14(13)10-23/h4-7H,3,8-11H2,1-2H3,(H,21,22,24)/p+1