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

Systemtic Name: methyl 2-(isoquinolin-2-ium-2-ylmethyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H16N3O3S+ MolecularWeight: 366.41364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[N+]3=CC4=CC=CC=C4C=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[N+]3=CC4=CC=CC=C4C=C3)C(=O)OC

InChI

InChI=1S/C19H15N3O3S/c1-11-15-17(23)20-14(21-18(15)26-16(11)19(24)25-2)10-22-8-7-12-5-3-4-6-13(12)9-22/h3-9H,10H2,1-2H3/p+1