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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C20H25N5O4/c1-2-27-20(26)14-4-3-7-25(10-14)19-17(21)18(23-11-24-19)22-9-13-5-6-15-16(8-13)29-12-28-15/h5-6,8,11,14H,2-4,7,9-10,12,21H2,1H3,(H,22,23,24)