1-[(4,5-diisocyano-1H-imidazol-2-yl)amino]-3-[3-(2,4-dimethylphenoxy)propyl]urea

Systemtic Name: 1-[(4,5-diisocyano-1H-imidazol-2-yl)amino]-3-[3-(2,4-dimethylphenoxy)propyl]urea Openeye Name: 1-[(4,5-diisocyano-1H-imidazol-2-yl)amino]-3-[3-(2,4-dimethylphenoxy)propyl]urea CAS Name: 1-[(4,5-diisocyano-1H-imidazol-2-yl)amino]-3-[3-(2,4-dimethylphenoxy)propyl]urea IUPAC Name: 1-[(4,5-diisocyano-1H-imidazol-2-yl)amino]-3-[3-(2,4-dimethylphenoxy)propyl]urea Traditional Name: 1-[(4,5-diisocyano-1H-imidazol-2-yl)amino]-3-[3-(2,4-dimethylphenoxy)propyl]urea Formula: C17H19N7O2 MolecularWeight: 353.37846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCNC(=O)NNC2=NC(=C(N2)[N+]#[C-])[N+]#[C-])C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCNC(=O)NNC2=NC(=C(N2)[N+]#[C-])[N+]#[C-])C

InChI

InChI=1S/C17H19N7O2/c1-11-6-7-13(12(2)10-11)26-9-5-8-20-17(25)24-23-16-21-14(18-3)15(19-4)22-16/h6-7,10H,5,8-9H2,1-2H3,(H2,20,24,25)(H2,21,22,23)