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

Systemtic Name: phenethyl 5-methyl-4-[(2-propoxyphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-4-(2-propoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(2-propoxyanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-4-(2-propoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(2-propoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1NC2=C3C(=C(SC3=NC=N2)C(=O)OCCC4=CC=CC=C4)C

Isomeric SMILES

CCCOC1=CC=CC=C1NC2=C3C(=C(SC3=NC=N2)C(=O)OCCC4=CC=CC=C4)C

InChI

InChI=1S/C25H25N3O3S/c1-3-14-30-20-12-8-7-11-19(20)28-23-21-17(2)22(32-24(21)27-16-26-23)25(29)31-15-13-18-9-5-4-6-10-18/h4-12,16H,3,13-15H2,1-2H3,(H,26,27,28)