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

Systemtic Name: ethyl 2-azanyl-4-[3-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-amino-4-[3-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-amino-4-[3-(1-pyrrolidinylmethyl)phenyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[3-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-amino-4-[3-(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(=CC=C3)CN4CCCC4

Isomeric SMILES

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

InChI

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