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

Systemtic Name: [4-[[3-(3-carbamimidoylphenyl)-2-oxidanylidene-1,3-diazinan-1-yl]methyl]-3-oxidanyl-piperidin-1-yl]boron Openeye Name: [4-[[3-(3-carbamimidoylphenyl)-2-oxo-hexahydropyrimidin-1-yl]methyl]-3-hydroxy-1-piperidyl]boron CAS Name: [4-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-diazinan-1-yl]methyl]-3-hydroxy-1-piperidinyl]boron IUPAC Name: [4-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-diazinan-1-yl]methyl]-3-hydroxypiperidin-1-yl]boron Traditional Name: [4-[[3-(3-amidinophenyl)-2-keto-hexahydropyrimidin-1-yl]methyl]-3-hydroxy-piperidino]boron Formula: C17H24BN5O2 MolecularWeight: 341.21576

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Descriptors Computed from Structure

Canonical SMILES:

[B]N1CCC(C(C1)O)CN2CCCN(C2=O)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

[B]N1CCC(C(C1)O)CN2CCCN(C2=O)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C17H24BN5O2/c18-22-8-5-13(15(24)11-22)10-21-6-2-7-23(17(21)25)14-4-1-3-12(9-14)16(19)20/h1,3-4,9,13,15,24H,2,5-8,10-11H2,(H3,19,20)