N'-oxidanyl-3-[[(4R,5R,6R)-5-oxidanyl-2-oxidanylidene-4-phenethyl-6-(phenylmethyl)-1,3-diazinan-1-yl]methyl]benzenecarboximidamide

Systemtic Name: N'-oxidanyl-3-[[(4R,5R,6R)-5-oxidanyl-2-oxidanylidene-4-phenethyl-6-(phenylmethyl)-1,3-diazinan-1-yl]methyl]benzenecarboximidamide Openeye Name: 3-[[(4R,5R,6R)-6-benzyl-5-hydroxy-2-oxo-4-phenethyl-hexahydropyrimidin-1-yl]methyl]-N'-hydroxy-benzamidine CAS Name: N'-hydroxy-3-[[(4R,5R,6R)-5-hydroxy-2-oxo-4-phenethyl-6-(phenylmethyl)-1,3-diazinan-1-yl]methyl]benzenecarboximidamide IUPAC Name: 3-[[(4R,5R,6R)-6-benzyl-5-hydroxy-2-oxo-4-phenethyl-1,3-diazinan-1-yl]methyl]-N'-hydroxybenzenecarboximidamide Traditional Name: 3-[[(4R,5R,6R)-6-benzyl-5-hydroxy-2-keto-4-phenethyl-hexahydropyrimidin-1-yl]methyl]-N'-hydroxy-benzamidine Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2C(C(N(C(=O)N2)CC3=CC=CC(=C3)C(=NO)N)CC4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CC[C@@H]2[C@H]([C@H](N(C(=O)N2)CC3=CC=CC(=C3)/C(=N\O)/N)CC4=CC=CC=C4)O

InChI

InChI=1S/C27H30N4O3/c28-26(30-34)22-13-7-12-21(16-22)18-31-24(17-20-10-5-2-6-11-20)25(32)23(29-27(31)33)15-14-19-8-3-1-4-9-19/h1-13,16,23-25,32,34H,14-15,17-18H2,(H2,28,30)(H,29,33)/t23-,24-,25-/m1/s1