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

Systemtic Name: N-(4-butylphenyl)-1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(4-butylphenyl)-1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(4-butylphenyl)-1-(3,4-dichlorophenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(4-butylphenyl)-1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (4-butylphenyl)-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C21H19Cl2N5 MolecularWeight: 412.31506

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H19Cl2N5/c1-2-3-4-14-5-7-15(8-6-14)27-20-17-12-26-28(21(17)25-13-24-20)16-9-10-18(22)19(23)11-16/h5-13H,2-4H2,1H3,(H,24,25,27)