ethyl 5-methyl-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[2-[4-(1-pyrazolyl)phenyl]ethylamino]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NCCC3=CC=C(C=C3)N4C=CC=N4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NCCC3=CC=C(C=C3)N4C=CC=N4)C

InChI

InChI=1S/C21H21N5O2S/c1-3-28-21(27)18-14(2)17-19(23-13-24-20(17)29-18)22-11-9-15-5-7-16(8-6-15)26-12-4-10-25-26/h4-8,10,12-13H,3,9,11H2,1-2H3,(H,22,23,24)