N-[6-butyl-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-chloranyl-benzamide

Systemtic Name: N-[6-butyl-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-chloranyl-benzamide Openeye Name: N-(1-benzyl-6-butyl-pyrazolo[3,4-d]pyrimidin-4-yl)-3-chloro-benzamide CAS Name: N-[6-butyl-1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]-3-chlorobenzamide IUPAC Name: N-(1-benzyl-6-butylpyrazolo[3,4-d]pyrimidin-4-yl)-3-chlorobenzamide Traditional Name: N-(1-benzyl-6-butyl-pyrazolo[3,4-d]pyrimidin-4-yl)-3-chloro-benzamide Formula: C23H22ClN5O MolecularWeight: 419.90668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=NN2CC3=CC=CC=C3)C(=N1)NC(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCC1=NC2=C(C=NN2CC3=CC=CC=C3)C(=N1)NC(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H22ClN5O/c1-2-3-12-20-26-21(28-23(30)17-10-7-11-18(24)13-17)19-14-25-29(22(19)27-20)15-16-8-5-4-6-9-16/h4-11,13-14H,2-3,12,15H2,1H3,(H,26,27,28,30)