[4-[[(6-azanylpyrimidin-4-yl)-methyl-amino]methyl]piperidin-1-yl]carbonylboron

Systemtic Name: [4-[[(6-azanylpyrimidin-4-yl)-methyl-amino]methyl]piperidin-1-yl]carbonylboron Openeye Name: [4-[[(6-aminopyrimidin-4-yl)-methyl-amino]methyl]piperidine-1-carbonyl]boron CAS Name: [[4-[[(6-amino-4-pyrimidinyl)-methylamino]methyl]-1-piperidinyl]-oxomethyl]boron IUPAC Name: [4-[[(6-aminopyrimidin-4-yl)-methylamino]methyl]piperidine-1-carbonyl]boron Traditional Name: [4-[[(6-aminopyrimidin-4-yl)-methyl-amino]methyl]piperidine-1-carbonyl]boron Formula: C12H18BN5O MolecularWeight: 259.11522

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Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)N1CCC(CC1)CN(C)C2=NC=NC(=C2)N

Isomeric SMILES

[B]C(=O)N1CCC(CC1)CN(C)C2=NC=NC(=C2)N

InChI

InChI=1S/C12H18BN5O/c1-17(11-6-10(14)15-8-16-11)7-9-2-4-18(5-3-9)12(13)19/h6,8-9H,2-5,7H2,1H3,(H2,14,15,16)