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

Systemtic Name: ethyl 4-[[3-(cyclopropylcarbonylamino)phenyl]methylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methylamino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[[3-(cyclopropanecarbonylamino)benzyl]amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NCC3=CC(=CC=C3)NC(=O)C4CC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NCC3=CC(=CC=C3)NC(=O)C4CC4)C

InChI

InChI=1S/C21H22N4O3S/c1-3-28-21(27)17-12(2)16-18(23-11-24-20(16)29-17)22-10-13-5-4-6-15(9-13)25-19(26)14-7-8-14/h4-6,9,11,14H,3,7-8,10H2,1-2H3,(H,25,26)(H,22,23,24)