ethyl 4-[(4-fluoranyl-3-methyl-phenyl)methylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-[(4-fluoranyl-3-methyl-phenyl)methylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[(4-fluoro-3-methyl-phenyl)methylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[(4-fluoro-3-methylphenyl)methylamino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-fluoro-3-methylphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(4-fluoro-3-methyl-benzyl)amino]-5-methyl-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=CN=C2S1)NCC3=CC(=C(C=C3)F)C)C

Isomeric SMILES

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

InChI

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