N-[6-butyl-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-methoxy-benzamide

Systemtic Name: N-[6-butyl-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-methoxy-benzamide Openeye Name: N-(1-benzyl-6-butyl-pyrazolo[3,4-d]pyrimidin-4-yl)-2-methoxy-benzamide CAS Name: N-[6-butyl-1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]-2-methoxybenzamide IUPAC Name: N-(1-benzyl-6-butylpyrazolo[3,4-d]pyrimidin-4-yl)-2-methoxybenzamide Traditional Name: N-(1-benzyl-6-butyl-pyrazolo[3,4-d]pyrimidin-4-yl)-2-methoxy-benzamide Formula: C24H25N5O2 MolecularWeight: 415.4876

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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=C4OC

Isomeric SMILES

CCCCC1=NC2=C(C=NN2CC3=CC=CC=C3)C(=N1)NC(=O)C4=CC=CC=C4OC

InChI

InChI=1S/C24H25N5O2/c1-3-4-14-21-26-22(28-24(30)18-12-8-9-13-20(18)31-2)19-15-25-29(23(19)27-21)16-17-10-6-5-7-11-17/h5-13,15H,3-4,14,16H2,1-2H3,(H,26,27,28,30)