1-[2-(3-azanylpropoxy)-6-methyl-phenyl]-3-(1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)urea

Systemtic Name: 1-[2-(3-azanylpropoxy)-6-methyl-phenyl]-3-(1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)urea Openeye Name: 1-[2-(3-aminopropoxy)-6-methyl-phenyl]-3-(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)urea CAS Name: 1-[2-(3-aminopropoxy)-6-methylphenyl]-3-(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)urea IUPAC Name: 1-[2-(3-aminopropoxy)-6-methylphenyl]-3-(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)urea Traditional Name: 1-[2-(3-aminopropoxy)-6-methyl-phenyl]-3-(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)urea Formula: C18H20N6O3 MolecularWeight: 368.3898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCCCN)NC(=O)NC2=NC3=CC=CC=C3[N+](=N2)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)OCCCN)NC(=O)NC2=NC3=CC=CC=C3[N+](=N2)[O-]

InChI

InChI=1S/C18H20N6O3/c1-12-6-4-9-15(27-11-5-10-19)16(12)21-18(25)22-17-20-13-7-2-3-8-14(13)24(26)23-17/h2-4,6-9H,5,10-11,19H2,1H3,(H2,20,21,22,23,25)