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

Systemtic Name: N-(4-butylphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(4-butylphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(4-butylphenyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(4-butylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (4-butylphenyl)-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C21H21N5 MolecularWeight: 343.42494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5/c1-2-3-7-16-10-12-17(13-11-16)25-20-19-14-24-26(21(19)23-15-22-20)18-8-5-4-6-9-18/h4-6,8-15H,2-3,7H2,1H3,(H,22,23,25)