ethyl 5-methyl-4-(2-nitrophenoxy)-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-(2-nitrophenoxy)-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-(2-nitrophenoxy)-2-(1-piperidylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(2-nitrophenoxy)-2-(1-piperidinylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(2-nitrophenoxy)-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(2-nitrophenoxy)-2-(piperidinomethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CN3CCCCC3)OC4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CN3CCCCC3)OC4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C22H24N4O5S/c1-3-30-22(27)19-14(2)18-20(31-16-10-6-5-9-15(16)26(28)29)23-17(24-21(18)32-19)13-25-11-7-4-8-12-25/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3