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

Systemtic Name: ethyl 4-[(3-methoxy-3-oxidanylidene-propyl)amino]-5-methyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[(3-methoxy-3-oxo-propyl)amino]-5-methyl-2-(1-piperidylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[(3-methoxy-3-oxopropyl)amino]-5-methyl-2-(1-piperidinylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methoxy-3-oxopropyl)amino]-5-methyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(3-keto-3-methoxy-propyl)amino]-5-methyl-2-(piperidinomethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CN3CCCCC3)NCCC(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CN3CCCCC3)NCCC(=O)OC)C

InChI

InChI=1S/C20H28N4O4S/c1-4-28-20(26)17-13(2)16-18(21-9-8-15(25)27-3)22-14(23-19(16)29-17)12-24-10-6-5-7-11-24/h4-12H2,1-3H3,(H,21,22,23)