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

Systemtic Name: 2-phenoxyethyl 5-methyl-4-oxidanylidene-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-phenoxyethyl 5-methyl-4-oxo-2-(3-pyridyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-(3-pyridinyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 5-methyl-4-oxo-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-(3-pyridyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-phenoxyethyl ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C3=CN=CC=C3)C(=O)OCCOC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C3=CN=CC=C3)C(=O)OCCOC4=CC=CC=C4

InChI

InChI=1S/C21H17N3O4S/c1-13-16-19(25)23-18(14-6-5-9-22-12-14)24-20(16)29-17(13)21(26)28-11-10-27-15-7-3-2-4-8-15/h2-9,12H,10-11H2,1H3,(H,23,24,25)