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

Systemtic Name: N-[6-butyl-2-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]naphthalene-1-carboxamide Openeye Name: N-(2-benzyl-6-butyl-pyrazolo[3,4-d]pyrimidin-4-yl)naphthalene-1-carboxamide CAS Name: N-[6-butyl-2-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1-naphthalenecarboxamide IUPAC Name: N-(2-benzyl-6-butylpyrazolo[3,4-d]pyrimidin-4-yl)naphthalene-1-carboxamide Traditional Name: N-(2-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=NN(C=C2C(=N1)NC(=O)C3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CCCCC1=NC2=NN(C=C2C(=N1)NC(=O)C3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5

InChI

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