6-chloranyl-N2,N4-bis(3-pyrazol-1-ylphenyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-chloranyl-N2,N4-bis(3-pyrazol-1-ylphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-chloro-N2,N4-bis(3-pyrazol-1-ylphenyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-chloro-N2,N4-bis[3-(1-pyrazolyl)phenyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-chloro-2-N,4-N-bis(3-pyrazol-1-ylphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-chloro-6-(3-pyrazol-1-ylanilino)-s-triazin-2-yl]-(3-pyrazol-1-ylphenyl)amine Formula: C21H16ClN9 MolecularWeight: 429.86504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC(=NC(=N2)Cl)NC3=CC=CC(=C3)N4C=CC=N4)N5C=CC=N5

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC(=NC(=N2)Cl)NC3=CC=CC(=C3)N4C=CC=N4)N5C=CC=N5

InChI

InChI=1S/C21H16ClN9/c22-19-27-20(25-15-5-1-7-17(13-15)30-11-3-9-23-30)29-21(28-19)26-16-6-2-8-18(14-16)31-12-4-10-24-31/h1-14H,(H2,25,26,27,28,29)