1-(2-cyanopropan-2-ylimino)urea; 4-methoxy-2,4-dimethyl-2-phenyldiazenyl-pentanenitrile

Systemtic Name: 1-(2-cyanopropan-2-ylimino)urea; 4-methoxy-2,4-dimethyl-2-phenyldiazenyl-pentanenitrile Openeye Name: (1-cyano-1-methyl-ethyl)iminourea; 4-methoxy-2,4-dimethyl-2-phenylazo-pentanenitrile CAS Name: 2-cyanopropan-2-yliminourea; 4-methoxy-2,4-dimethyl-2-phenyldiazenylpentanenitrile IUPAC Name: 2-cyanopropan-2-yliminourea; 4-methoxy-2,4-dimethyl-2-phenyldiazenylpentanenitrile Traditional Name: (1-cyano-1-methyl-ethyl)iminourea; 4-methoxy-2,4-dimethyl-2-phenylazo-valeronitrile Formula: C19H27N7O2 MolecularWeight: 385.46338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C)(C#N)N=NC1=CC=CC=C1)OC.CC(C)(C#N)N=NC(=O)N

Isomeric SMILES

CC(C)(CC(C)(C#N)N=NC1=CC=CC=C1)OC.CC(C)(C#N)N=NC(=O)N

InChI

InChI=1S/C14H19N3O.C5H8N4O/c1-13(2,18-4)10-14(3,11-15)17-16-12-8-6-5-7-9-12;1-5(2,3-6)9-8-4(7)10/h5-9H,10H2,1-4H3;1-2H3,(H2,7,10)