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

Systemtic Name: ethyl 2-azanyl-4-(4-cyano-2-methyl-phenyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-amino-4-(4-cyano-2-methyl-phenyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-amino-4-(4-cyano-2-methylphenyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(4-cyano-2-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-amino-4-(4-cyano-2-methyl-phenyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N=C(N=C2S1)N)C3=C(C=C(C=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(N=C(N=C2S1)N)C3=C(C=C(C=C3)C#N)C

InChI

InChI=1S/C17H14N4O2S/c1-3-23-16(22)13-7-12-14(20-17(19)21-15(12)24-13)11-5-4-10(8-18)6-9(11)2/h4-7H,3H2,1-2H3,(H2,19,20,21)