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

Systemtic Name: ethyl 2-(isoquinolin-2-ium-2-ylmethyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-(isoquinolin-2-ium-2-ylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(2-isoquinolin-2-iumylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(isoquinolin-2-ium-2-ylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(isoquinolin-2-ium-2-ylmethyl)-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H18N3O3S+ MolecularWeight: 380.44022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C[N+]3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C[N+]3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C20H17N3O3S/c1-3-26-20(25)17-12(2)16-18(24)21-15(22-19(16)27-17)11-23-9-8-13-6-4-5-7-14(13)10-23/h4-10H,3,11H2,1-2H3/p+1