1-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide Openeye Name: 1-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide CAS Name: 1-[5,6-dimethyl-2-[(phenylthio)methyl]-4-thieno[2,3-d]pyrimidinyl]-4-piperidinecarboxamide IUPAC Name: 1-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide Traditional Name: 1-[5,6-dimethyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidin-4-yl]isonipecotamide Formula: C21H24N4OS2 MolecularWeight: 412.57146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCC(CC3)C(=O)N)CSC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCC(CC3)C(=O)N)CSC4=CC=CC=C4)C

InChI

InChI=1S/C21H24N4OS2/c1-13-14(2)28-21-18(13)20(25-10-8-15(9-11-25)19(22)26)23-17(24-21)12-27-16-6-4-3-5-7-16/h3-7,15H,8-12H2,1-2H3,(H2,22,26)