methyl 2-isoquinolin-1-yl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 2-isoquinolin-1-yl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-(1-isoquinolyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(1-isoquinolinyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-isoquinolin-1-yl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(1-isoquinolyl)-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C3=NC=CC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C3=NC=CC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C18H13N3O3S/c1-9-12-16(22)20-15(21-17(12)25-14(9)18(23)24-2)13-11-6-4-3-5-10(11)7-8-19-13/h3-8H,1-2H3,(H,20,21,22)