ethyl 5-methyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[[2-(1-pyrazolylmethyl)phenyl]methylamino]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[[2-(pyrazol-1-ylmethyl)benzyl]amino]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)NCC3=CC=CC=C3CN4C=CC=N4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NCC3=CC=CC=C3CN4C=CC=N4)C

InChI

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