methyl 1-[5-azanyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[5-azanyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-amino-6-(tetrahydrofuran-2-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-amino-6-(2-oxolanylmethylamino)-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-amino-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C16H25N5O3 MolecularWeight: 335.4014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3CCCO3)N

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3CCCO3)N

InChI

InChI=1S/C16H25N5O3/c1-23-16(22)11-4-6-21(7-5-11)15-13(17)14(19-10-20-15)18-9-12-3-2-8-24-12/h10-12H,2-9,17H2,1H3,(H,18,19,20)