1-[2-(3-azanylpropoxy)-5-propan-2-yl-phenyl]-3-(1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)urea

Systemtic Name: 1-[2-(3-azanylpropoxy)-5-propan-2-yl-phenyl]-3-(1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)urea Openeye Name: 1-[2-(3-aminopropoxy)-5-isopropyl-phenyl]-3-(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)urea CAS Name: 1-[2-(3-aminopropoxy)-5-propan-2-ylphenyl]-3-(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)urea IUPAC Name: 1-[2-(3-aminopropoxy)-5-propan-2-ylphenyl]-3-(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)urea Traditional Name: 1-[2-(3-aminopropoxy)-5-isopropyl-phenyl]-3-(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)urea Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)OCCCN)NC(=O)NC2=NC3=CC=CC=C3[N+](=N2)[O-]

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)OCCCN)NC(=O)NC2=NC3=CC=CC=C3[N+](=N2)[O-]

InChI

InChI=1S/C20H24N6O3/c1-13(2)14-8-9-18(29-11-5-10-21)16(12-14)23-20(27)24-19-22-15-6-3-4-7-17(15)26(28)25-19/h3-4,6-9,12-13H,5,10-11,21H2,1-2H3,(H2,22,23,24,25,27)