N-butyl-1-(3-chloranyl-4-methyl-phenyl)-N-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-butyl-1-(3-chloranyl-4-methyl-phenyl)-N-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-butyl-1-(3-chloro-4-methyl-phenyl)-N-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-butyl-1-(3-chloro-4-methylphenyl)-N-phenyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-butyl-1-(3-chloro-4-methylphenyl)-N-phenylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: butyl-[1-(3-chloro-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-phenyl-amine Formula: C22H22ClN5 MolecularWeight: 391.89658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)C2=NC=NC3=C2C=NN3C4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CCCCN(C1=CC=CC=C1)C2=NC=NC3=C2C=NN3C4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C22H22ClN5/c1-3-4-12-27(17-8-6-5-7-9-17)21-19-14-26-28(22(19)25-15-24-21)18-11-10-16(2)20(23)13-18/h5-11,13-15H,3-4,12H2,1-2H3