2-pyridin-2-ylethyl 3-[(2-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-pyridin-2-ylethyl 3-[(2-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-(2-pyridyl)ethyl 3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-(2-pyridinyl)ethyl ester IUPAC Name: 2-pyridin-2-ylethyl 3-[(2-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(2-fluorobenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-(2-pyridyl)ethyl ester Formula: C22H18FN3O3S MolecularWeight: 423.460023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC=C3F)C(=O)OCCC4=CC=CC=N4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC=C3F)C(=O)OCCC4=CC=CC=N4

InChI

InChI=1S/C22H18FN3O3S/c1-14-18-20(25-13-26(21(18)27)12-15-6-2-3-8-17(15)23)30-19(14)22(28)29-11-9-16-7-4-5-10-24-16/h2-8,10,13H,9,11-12H2,1H3