ethyl 4-[(4-fluorophenyl)methylamino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-[(4-fluorophenyl)methylamino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[(4-fluorophenyl)methylamino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[(4-fluorophenyl)methylamino]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-fluorophenyl)methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(4-fluorobenzyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H18FN3O2S MolecularWeight: 359.417823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NCC3=CC=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NCC3=CC=C(C=C3)F)C

InChI

InChI=1S/C18H18FN3O2S/c1-4-24-18(23)15-10(2)14-16(21-11(3)22-17(14)25-15)20-9-12-5-7-13(19)8-6-12/h5-8H,4,9H2,1-3H3,(H,20,21,22)