4-butyl-N-[2-[4-oxidanylidene-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclohexane-1-carboxamide

Systemtic Name: 4-butyl-N-[2-[4-oxidanylidene-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclohexane-1-carboxamide Openeye Name: N-[2-(5-benzyl-4-oxo-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-butyl-cyclohexanecarboxamide CAS Name: 4-butyl-N-[2-[4-oxo-5-(phenylmethyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1-cyclohexanecarboxamide IUPAC Name: N-[2-(5-benzyl-4-oxopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-butylcyclohexane-1-carboxamide Traditional Name: N-[2-(5-benzyl-4-keto-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-butyl-cyclohexanecarboxamide Formula: C25H33N5O2 MolecularWeight: 435.56182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NCCN2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=CC=C4

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NCCN2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N5O2/c1-2-3-7-19-10-12-21(13-11-19)24(31)26-14-15-30-23-22(16-28-30)25(32)29(18-27-23)17-20-8-5-4-6-9-20/h4-6,8-9,16,18-19,21H,2-3,7,10-15,17H2,1H3,(H,26,31)