4-butoxy-N-[2-[4-oxidanylidene-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide

Systemtic Name: 4-butoxy-N-[2-[4-oxidanylidene-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Openeye Name: N-[2-(5-benzyl-4-oxo-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-butoxy-benzamide CAS Name: 4-butoxy-N-[2-[4-oxo-5-(phenylmethyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzamide IUPAC Name: N-[2-(5-benzyl-4-oxopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-butoxybenzamide Traditional Name: N-[2-(5-benzyl-4-keto-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-butoxy-benzamide Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCCN2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCCN2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N5O3/c1-2-3-15-33-21-11-9-20(10-12-21)24(31)26-13-14-30-23-22(16-28-30)25(32)29(18-27-23)17-19-7-5-4-6-8-19/h4-12,16,18H,2-3,13-15,17H2,1H3,(H,26,31)