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

Systemtic Name: 1-[5-(3-azanylpropoxy)-2-chloranyl-phenyl]-3-(1,2,4-benzotriazin-3-yl)urea Openeye Name: 1-[5-(3-aminopropoxy)-2-chloro-phenyl]-3-(1,2,4-benzotriazin-3-yl)urea CAS Name: 1-[5-(3-aminopropoxy)-2-chlorophenyl]-3-(1,2,4-benzotriazin-3-yl)urea IUPAC Name: 1-[5-(3-aminopropoxy)-2-chlorophenyl]-3-(1,2,4-benzotriazin-3-yl)urea Traditional Name: 1-[5-(3-aminopropoxy)-2-chloro-phenyl]-3-(1,2,4-benzotriazin-3-yl)urea Formula: C17H17ClN6O2 MolecularWeight: 372.80888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N=N2)NC(=O)NC3=C(C=CC(=C3)OCCCN)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N=N2)NC(=O)NC3=C(C=CC(=C3)OCCCN)Cl

InChI

InChI=1S/C17H17ClN6O2/c18-12-7-6-11(26-9-3-8-19)10-15(12)21-17(25)22-16-20-13-4-1-2-5-14(13)23-24-16/h1-2,4-7,10H,3,8-9,19H2,(H2,20,21,22,24,25)