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

Systemtic Name: N-butyl-1-(5-chloranyl-2-methyl-phenyl)-N-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-benzyl-N-butyl-1-(5-chloro-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-butyl-1-(5-chloro-2-methylphenyl)-N-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-benzyl-N-butyl-1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: benzyl-butyl-[1-(5-chloro-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C23H24ClN5 MolecularWeight: 405.92316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN5/c1-3-4-12-28(15-18-8-6-5-7-9-18)22-20-14-27-29(23(20)26-16-25-22)21-13-19(24)11-10-17(21)2/h5-11,13-14,16H,3-4,12,15H2,1-2H3