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

Systemtic Name: N-butyl-1-(3-chlorophenyl)-N-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-benzyl-N-butyl-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-butyl-1-(3-chlorophenyl)-N-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-benzyl-N-butyl-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: benzyl-butyl-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C22H22ClN5 MolecularWeight: 391.89658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C2=NC=NC3=C2C=NN3C4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C2=NC=NC3=C2C=NN3C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H22ClN5/c1-2-3-12-27(15-17-8-5-4-6-9-17)21-20-14-26-28(22(20)25-16-24-21)19-11-7-10-18(23)13-19/h4-11,13-14,16H,2-3,12,15H2,1H3