ethyl 5-azanyl-2-pentylsulfanyl-4-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-azanyl-2-pentylsulfanyl-4-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-2-pentylsulfanyl-4-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-2-(pentylthio)-4-phenyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-2-pentylsulfanyl-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-2-(amylthio)-4-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=C2C(=C(SC2=N1)C(=O)OCC)N)C3=CC=CC=C3

Isomeric SMILES

CCCCCSC1=NC(=C2C(=C(SC2=N1)C(=O)OCC)N)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O2S2/c1-3-5-9-12-26-20-22-16(13-10-7-6-8-11-13)14-15(21)17(19(24)25-4-2)27-18(14)23-20/h6-8,10-11H,3-5,9,12,21H2,1-2H3