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

Systemtic Name: N-[6-butyl-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]naphthalene-1-carboxamide Openeye Name: N-(1-benzyl-6-butyl-pyrazolo[3,4-d]pyrimidin-4-yl)naphthalene-1-carboxamide CAS Name: N-[6-butyl-1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1-naphthalenecarboxamide IUPAC Name: N-(1-benzyl-6-butylpyrazolo[3,4-d]pyrimidin-4-yl)naphthalene-1-carboxamide Traditional Name: N-(1-benzyl-6-butyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1-naphthamide Formula: C27H25N5O MolecularWeight: 435.5203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=NN2CC3=CC=CC=C3)C(=N1)NC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCCCC1=NC2=C(C=NN2CC3=CC=CC=C3)C(=N1)NC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H25N5O/c1-2-3-16-24-29-25(31-27(33)22-15-9-13-20-12-7-8-14-21(20)22)23-17-28-32(26(23)30-24)18-19-10-5-4-6-11-19/h4-15,17H,2-3,16,18H2,1H3,(H,29,30,31,33)