N-(1,3-benzodioxol-5-ylmethyl)-1-[4-methyl-6-(thiophen-2-ylmethylamino)pyrimidin-2-yl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[4-methyl-6-(thiophen-2-ylmethylamino)pyrimidin-2-yl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[4-methyl-6-(2-thienylmethylamino)pyrimidin-2-yl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[4-methyl-6-(thiophen-2-ylmethylamino)-2-pyrimidinyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[4-methyl-6-(thiophen-2-ylmethylamino)pyrimidin-2-yl]piperidine-4-carboxamide Traditional Name: 1-[4-methyl-6-(2-thenylamino)pyrimidin-2-yl]-N-piperonyl-isonipecotamide Formula: C24H27N5O3S MolecularWeight: 465.56788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCC(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4)NCC5=CC=CS5

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCC(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4)NCC5=CC=CS5

InChI

InChI=1S/C24H27N5O3S/c1-16-11-22(25-14-19-3-2-10-33-19)28-24(27-16)29-8-6-18(7-9-29)23(30)26-13-17-4-5-20-21(12-17)32-15-31-20/h2-5,10-12,18H,6-9,13-15H2,1H3,(H,26,30)(H,25,27,28)