ethyl 2-azanyl-4-[4-(piperidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-azanyl-4-[4-(piperidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-amino-4-[4-(1-piperidylmethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-amino-4-[4-(1-piperidinylmethyl)phenyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[4-(piperidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-amino-4-[4-(piperidinomethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N=C(N=C2S1)N)C3=CC=C(C=C3)CN4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC2=C(N=C(N=C2S1)N)C3=CC=C(C=C3)CN4CCCCC4

InChI

InChI=1S/C21H24N4O2S/c1-2-27-20(26)17-12-16-18(23-21(22)24-19(16)28-17)15-8-6-14(7-9-15)13-25-10-4-3-5-11-25/h6-9,12H,2-5,10-11,13H2,1H3,(H2,22,23,24)