ethyl 2-azanyl-4-(2-chloranyl-4-ethoxy-phenyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-azanyl-4-(2-chloranyl-4-ethoxy-phenyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-amino-4-(2-chloro-4-ethoxy-phenyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-amino-4-(2-chloro-4-ethoxyphenyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(2-chloro-4-ethoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-amino-4-(2-chloro-4-ethoxy-phenyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H16ClN3O3S MolecularWeight: 377.84524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C2=C3C=C(SC3=NC(=N2)N)C(=O)OCC)Cl

Isomeric SMILES

CCOC1=CC(=C(C=C1)C2=C3C=C(SC3=NC(=N2)N)C(=O)OCC)Cl

InChI

InChI=1S/C17H16ClN3O3S/c1-3-23-9-5-6-10(12(18)7-9)14-11-8-13(16(22)24-4-2)25-15(11)21-17(19)20-14/h5-8H,3-4H2,1-2H3,(H2,19,20,21)