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

Systemtic Name: (2-methoxyphenyl) 5-azanyl-2-methylsulfanyl-4-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: (2-methoxyphenyl) 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 (2-methoxyphenyl) ester IUPAC Name: (2-methoxyphenyl) 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 (2-methoxyphenyl) ester Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC(=O)C2=C(C3=C(N=C(N=C3S2)SC)C4=CC=CC=C4)N

Isomeric SMILES

COC1=CC=CC=C1OC(=O)C2=C(C3=C(N=C(N=C3S2)SC)C4=CC=CC=C4)N

InChI

InChI=1S/C21H17N3O3S2/c1-26-13-10-6-7-11-14(13)27-20(25)18-16(22)15-17(12-8-4-3-5-9-12)23-21(28-2)24-19(15)29-18/h3-11H,22H2,1-2H3