6-chloranyl-N-(2,6-diethylphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 6-chloranyl-N-(2,6-diethylphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 6-chloro-N-(2,6-diethylphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 6-chloro-N-(2,6-diethylphenyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 6-chloro-N-(2,6-diethylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (6-chloro-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-(2,6-diethylphenyl)amine Formula: C21H20ClN5 MolecularWeight: 377.87

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)Cl

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H20ClN5/c1-3-14-9-8-10-15(4-2)18(14)24-19-17-13-23-27(16-11-6-5-7-12-16)20(17)26-21(22)25-19/h5-13H,3-4H2,1-2H3,(H,24,25,26)