ethyl 4-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5,6-dimethyl-2-(1-pyrrolidin-1-iumylmethyl)-4-thieno[2,3-d]pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H30N5O2S+ MolecularWeight: 404.5495

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)C[NH+]4CCCC4)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)C[NH+]4CCCC4)C)C

InChI

InChI=1S/C20H29N5O2S/c1-4-27-20(26)25-11-9-24(10-12-25)18-17-14(2)15(3)28-19(17)22-16(21-18)13-23-7-5-6-8-23/h4-13H2,1-3H3/p+1