1-[3-[2-(cyanomethylamino)propyl]phenyl]urea

Systemtic Name: 1-[3-[2-(cyanomethylamino)propyl]phenyl]urea Openeye Name: [3-[2-(cyanomethylamino)propyl]phenyl]urea CAS Name: [3-[2-(cyanomethylamino)propyl]phenyl]urea IUPAC Name: [3-[2-(cyanomethylamino)propyl]phenyl]urea Traditional Name: [3-[2-(cyanomethylamino)propyl]phenyl]urea Formula: C12H16N4O MolecularWeight: 232.28164

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=CC=C1)NC(=O)N)NCC#N

Isomeric SMILES

CC(CC1=CC(=CC=C1)NC(=O)N)NCC#N

InChI

InChI=1S/C12H16N4O/c1-9(15-6-5-13)7-10-3-2-4-11(8-10)16-12(14)17/h2-4,8-9,15H,6-7H2,1H3,(H3,14,16,17)