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

Systemtic Name: N-[6-butyl-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-3-carboxamide Openeye Name: N-(1-benzyl-6-butyl-pyrazolo[3,4-d]pyrimidin-4-yl)pyridine-3-carboxamide CAS Name: N-[6-butyl-1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]-3-pyridinecarboxamide IUPAC Name: N-(1-benzyl-6-butylpyrazolo[3,4-d]pyrimidin-4-yl)pyridine-3-carboxamide Traditional Name: N-(1-benzyl-6-butyl-pyrazolo[3,4-d]pyrimidin-4-yl)nicotinamide Formula: C22H22N6O MolecularWeight: 386.44968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O/c1-2-3-11-19-25-20(27-22(29)17-10-7-12-23-13-17)18-14-24-28(21(18)26-19)15-16-8-5-4-6-9-16/h4-10,12-14H,2-3,11,15H2,1H3,(H,25,26,27,29)