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

Systemtic Name: 2-methoxyethyl 2-[[(3-fluorophenyl)methyl-methyl-amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C20H22FN3O4S MolecularWeight: 419.469783

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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)OCCOC

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O4S/c1-12-16-18(25)22-15(11-24(2)10-13-5-4-6-14(21)9-13)23-19(16)29-17(12)20(26)28-8-7-27-3/h4-6,9H,7-8,10-11H2,1-3H3,(H,22,23,25)