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

Systemtic Name: ethyl 4-[(3-chlorophenyl)methylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[(3-chlorophenyl)methylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[(3-chlorophenyl)methylamino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-chlorophenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(3-chlorobenzyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H16ClN3O2S MolecularWeight: 361.84584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O2S/c1-3-23-17(22)14-10(2)13-15(20-9-21-16(13)24-14)19-8-11-5-4-6-12(18)7-11/h4-7,9H,3,8H2,1-2H3,(H,19,20,21)