1-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[5,6-dimethyl-2-(1-pyrrolidinylmethyl)-4-thieno[2,3-d]pyrimidinyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[5,6-dimethyl-2-(pyrrolidinomethyl)thieno[2,3-d]pyrimidin-4-yl]-N-phenyl-isonipecotamide Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCC(CC3)C(=O)NC4=CC=CC=C4)CN5CCCC5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCC(CC3)C(=O)NC4=CC=CC=C4)CN5CCCC5)C

InChI

InChI=1S/C25H31N5OS/c1-17-18(2)32-25-22(17)23(27-21(28-25)16-29-12-6-7-13-29)30-14-10-19(11-15-30)24(31)26-20-8-4-3-5-9-20/h3-5,8-9,19H,6-7,10-16H2,1-2H3,(H,26,31)