ethyl 1-[5-azanyl-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-azanyl-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-amino-6-(piperonylamino)pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C20H25N5O4/c1-2-27-20(26)14-5-7-25(8-6-14)19-17(21)18(23-11-24-19)22-10-13-3-4-15-16(9-13)29-12-28-15/h3-4,9,11,14H,2,5-8,10,12,21H2,1H3,(H,22,23,24)