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

Systemtic Name: ethyl 5-methyl-4-[(4-thiocyanatophenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-(4-thiocyanatoanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(4-thiocyanatoanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(4-thiocyanatoanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(4-thiocyanatoanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H14N4O2S2 MolecularWeight: 370.44866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=CC=C(C=C3)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=CC=C(C=C3)SC#N)C

InChI

InChI=1S/C17H14N4O2S2/c1-3-23-17(22)14-10(2)13-15(19-9-20-16(13)25-14)21-11-4-6-12(7-5-11)24-8-18/h4-7,9H,3H2,1-2H3,(H,19,20,21)