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

Systemtic Name: (phenylmethyl) 5-azanyl-2-methylsulfanyl-4-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 5-amino-2-methylsulfanyl-4-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-2-(methylthio)-4-phenyl-6-thieno[2,3-d]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-amino-2-methylsulfanyl-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-2-(methylthio)-4-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C2C(=C(SC2=N1)C(=O)OCC3=CC=CC=C3)N)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=C2C(=C(SC2=N1)C(=O)OCC3=CC=CC=C3)N)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O2S2/c1-27-21-23-17(14-10-6-3-7-11-14)15-16(22)18(28-19(15)24-21)20(25)26-12-13-8-4-2-5-9-13/h2-11H,12,22H2,1H3