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

Systemtic Name: ethyl 5-azanyl-4-phenyl-2-(phenylmethylsulfanyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-2-benzylsulfanyl-4-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-4-phenyl-2-(phenylmethylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-2-benzylsulfanyl-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-2-(benzylthio)-4-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H19N3O2S2 MolecularWeight: 421.53516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SCC3=CC=CC=C3)C4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SCC3=CC=CC=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C22H19N3O2S2/c1-2-27-21(26)19-17(23)16-18(15-11-7-4-8-12-15)24-22(25-20(16)29-19)28-13-14-9-5-3-6-10-14/h3-12H,2,13,23H2,1H3