N-(1,3-benzodioxol-5-yl)-1-(2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(2-ethyl-4,5-dimethyl-6-thieno[2,3-d]pyrimidinyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carbonyl)isonipecotamide Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C2C(=C(SC2=N1)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5)C)C

Isomeric SMILES

CCC1=NC(=C2C(=C(SC2=N1)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5)C)C

InChI

InChI=1S/C24H26N4O4S/c1-4-19-25-14(3)20-13(2)21(33-23(20)27-19)24(30)28-9-7-15(8-10-28)22(29)26-16-5-6-17-18(11-16)32-12-31-17/h5-6,11,15H,4,7-10,12H2,1-3H3,(H,26,29)