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

Systemtic Name: methyl 2-[[(3-fluorophenyl)methyl-methyl-amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[(3-fluorophenyl)methyl-methyl-amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(3-fluorobenzyl)-methyl-amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C18H18FN3O3S MolecularWeight: 375.417223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN(C)CC3=CC(=CC=C3)F)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN(C)CC3=CC(=CC=C3)F)C(=O)OC

InChI

InChI=1S/C18H18FN3O3S/c1-10-14-16(23)20-13(21-17(14)26-15(10)18(24)25-3)9-22(2)8-11-5-4-6-12(19)7-11/h4-7H,8-9H2,1-3H3,(H,20,21,23)