N-butyl-1-(5-chloranyl-2-methyl-phenyl)-N-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-butyl-1-(5-chloranyl-2-methyl-phenyl)-N-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-butyl-1-(5-chloro-2-methyl-phenyl)-N-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-butyl-1-(5-chloro-2-methylphenyl)-N-phenyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-butyl-1-(5-chloro-2-methylphenyl)-N-phenylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: butyl-[1-(5-chloro-2-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=C(C=CC(=C4)Cl)C

Isomeric SMILES

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

InChI

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