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

Systemtic Name: [4-[[3-(3-carbamimidoylphenyl)-2-oxidanylidene-1,3-diazinan-1-yl]methyl]phenyl]boron Openeye Name: [4-[[3-(3-carbamimidoylphenyl)-2-oxo-hexahydropyrimidin-1-yl]methyl]phenyl]boron CAS Name: [4-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-diazinan-1-yl]methyl]phenyl]boron IUPAC Name: [4-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-diazinan-1-yl]methyl]phenyl]boron Traditional Name: [4-[[3-(3-amidinophenyl)-2-keto-hexahydropyrimidin-1-yl]methyl]phenyl]boron Formula: C18H19BN4O MolecularWeight: 318.18066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BN4O/c19-15-7-5-13(6-8-15)12-22-9-2-10-23(18(22)24)16-4-1-3-14(11-16)17(20)21/h1,3-8,11H,2,9-10,12H2,(H3,20,21)