ethyl 4-[(3-chloranyl-2-methyl-phenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-[(3-chloranyl-2-methyl-phenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(3-chloro-2-methyl-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3-chloro-2-methylanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chloro-2-methylanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-chloro-2-methyl-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H18ClN3O2S MolecularWeight: 375.87242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NC3=C(C(=CC=C3)Cl)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NC3=C(C(=CC=C3)Cl)C)C

InChI

InChI=1S/C18H18ClN3O2S/c1-5-24-18(23)15-10(3)14-16(20-11(4)21-17(14)25-15)22-13-8-6-7-12(19)9(13)2/h6-8H,5H2,1-4H3,(H,20,21,22)