[4-[[3-(3-carbamimidoylphenyl)-2-oxidanylidene-1,3-diazinan-1-yl]methyl]piperidin-1-yl]boron

Systemtic Name: [4-[[3-(3-carbamimidoylphenyl)-2-oxidanylidene-1,3-diazinan-1-yl]methyl]piperidin-1-yl]boron Openeye Name: [4-[[3-(3-carbamimidoylphenyl)-2-oxo-hexahydropyrimidin-1-yl]methyl]-1-piperidyl]boron CAS Name: [4-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-diazinan-1-yl]methyl]-1-piperidinyl]boron IUPAC Name: [4-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-diazinan-1-yl]methyl]piperidin-1-yl]boron Traditional Name: [4-[[3-(3-amidinophenyl)-2-keto-hexahydropyrimidin-1-yl]methyl]piperidino]boron Formula: C17H24BN5O MolecularWeight: 325.21636

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Descriptors Computed from Structure

Canonical SMILES:

[B]N1CCC(CC1)CN2CCCN(C2=O)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

[B]N1CCC(CC1)CN2CCCN(C2=O)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C17H24BN5O/c18-22-9-5-13(6-10-22)12-21-7-2-8-23(17(21)24)15-4-1-3-14(11-15)16(19)20/h1,3-4,11,13H,2,5-10,12H2,(H3,19,20)