N-(4-butylphenyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-(4-butylphenyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(4-butylphenyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(4-butylphenyl)-1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(4-butylphenyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (4-butylphenyl)-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C21H20ClN5 MolecularWeight: 377.87

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl

InChI

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