2-methoxyethyl 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methoxyethyl 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCC4=CC=CC=C4C3)C(=O)OCCOC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCC4=CC=CC=C4C3)C(=O)OCCOC

InChI

InChI=1S/C21H23N3O4S/c1-13-17-19(25)22-16(12-24-8-7-14-5-3-4-6-15(14)11-24)23-20(17)29-18(13)21(26)28-10-9-27-2/h3-6H,7-12H2,1-2H3,(H,22,23,25)