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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)NC3=NC(=NC(=N3)Cl)NC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)NC3=NC(=NC(=N3)Cl)NC4=CN(N=C4)C5=CC=CC=C5

InChI

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