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

Systemtic Name: ethyl 2-azanyl-4-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-amino-4-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-amino-4-[4-(1-pyrrolidinylmethyl)phenyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-amino-4-[4-(pyrrolidinomethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H22N4O2S MolecularWeight: 382.47928

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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)CN4CCCC4

Isomeric SMILES

CCOC(=O)C1=CC2=C(N=C(N=C2S1)N)C3=CC=C(C=C3)CN4CCCC4

InChI

InChI=1S/C20H22N4O2S/c1-2-26-19(25)16-11-15-17(22-20(21)23-18(15)27-16)14-7-5-13(6-8-14)12-24-9-3-4-10-24/h5-8,11H,2-4,9-10,12H2,1H3,(H2,21,22,23)