phenyl N'-[3-(1H-imidazol-5-yl)propyl]carbamimidate

Systemtic Name: phenyl N'-[3-(1H-imidazol-5-yl)propyl]carbamimidate Openeye Name: 3-[3-(1H-imidazol-5-yl)propyl]-2-phenyl-isourea CAS Name: N'-[3-(1H-imidazol-5-yl)propyl]carbamimidic acid phenyl ester IUPAC Name: phenyl N'-[3-(1H-imidazol-5-yl)propyl]carbamimidate Traditional Name: 3-[3-(1H-imidazol-5-yl)propyl]-2-phenyl-isourea Formula: C13H16N4O MolecularWeight: 244.29234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=NCCCC2=CN=CN2)N

Isomeric SMILES

C1=CC=C(C=C1)OC(=NCCCC2=CN=CN2)N

InChI

InChI=1S/C13H16N4O/c14-13(18-12-6-2-1-3-7-12)16-8-4-5-11-9-15-10-17-11/h1-3,6-7,9-10H,4-5,8H2,(H2,14,16)(H,15,17)