ethyl 5-methyl-4-[(1-phenylpyrazol-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-[(1-phenylpyrazol-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-[(1-phenylpyrazol-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[(1-phenyl-4-pyrazolyl)methylamino]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-[(1-phenylpyrazol-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[(1-phenylpyrazol-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H19N5O2S MolecularWeight: 393.46216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NCC3=CN(N=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NCC3=CN(N=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C20H19N5O2S/c1-3-27-20(26)17-13(2)16-18(22-12-23-19(16)28-17)21-9-14-10-24-25(11-14)15-7-5-4-6-8-15/h4-8,10-12H,3,9H2,1-2H3,(H,21,22,23)