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

Systemtic Name: ethyl 5-methyl-4-[(1-methylsulfonylpiperidin-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-[(1-methylsulfonyl-4-piperidyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[(1-methylsulfonyl-4-piperidinyl)amino]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-[(1-methylsulfonylpiperidin-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(1-mesyl-4-piperidyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H22N4O4S2 MolecularWeight: 398.50028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3CCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3CCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C16H22N4O4S2/c1-4-24-16(21)13-10(2)12-14(17-9-18-15(12)25-13)19-11-5-7-20(8-6-11)26(3,22)23/h9,11H,4-8H2,1-3H3,(H,17,18,19)