2-[4-azanyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]-2-(4-dimethylaminophenyl)imino-ethanenitrile

Systemtic Name: 2-[4-azanyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]-2-(4-dimethylaminophenyl)imino-ethanenitrile Openeye Name: 4-amino-N-(4-dimethylaminophenyl)-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine-2-carboximidoyl cyanide CAS Name: 2-[4-amino-6-(4-phenyl-1-piperazinyl)-1,3,5-triazin-2-yl]-2-(4-dimethylaminophenyl)iminoacetonitrile IUPAC Name: 4-amino-N-(4-dimethylaminophenyl)-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine-2-carboximidoyl cyanide Traditional Name: 2-[4-amino-6-(4-phenylpiperazino)-s-triazin-2-yl]-2-(4-dimethylaminophenyl)imino-acetonitrile Formula: C23H25N9 MolecularWeight: 427.5049

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)N=C(C#N)C2=NC(=NC(=N2)N)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)N=C(C#N)C2=NC(=NC(=N2)N)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N9/c1-30(2)18-10-8-17(9-11-18)26-20(16-24)21-27-22(25)29-23(28-21)32-14-12-31(13-15-32)19-6-4-3-5-7-19/h3-11H,12-15H2,1-2H3,(H2,25,27,28,29)