3-methyl-1-(2-oxidanyl-6-phenyl-hexan-3-yl)-6-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-methyl-1-(2-oxidanyl-6-phenyl-hexan-3-yl)-6-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-benzyl-1-[1-(1-hydroxyethyl)-4-phenyl-butyl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-hydroxy-6-phenylhexan-3-yl)-3-methyl-6-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-benzyl-1-(2-hydroxy-6-phenylhexan-3-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-benzyl-1-[1-(1-hydroxyethyl)-4-phenyl-butyl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C25H28N4O2 MolecularWeight: 416.51542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=NC2=O)CC3=CC=CC=C3)N(N1)C(CCCC4=CC=CC=C4)C(C)O

Isomeric SMILES

CC1=C2C(=NC(=NC2=O)CC3=CC=CC=C3)N(N1)C(CCCC4=CC=CC=C4)C(C)O

InChI

InChI=1S/C25H28N4O2/c1-17-23-24(26-22(27-25(23)31)16-20-12-7-4-8-13-20)29(28-17)21(18(2)30)15-9-14-19-10-5-3-6-11-19/h3-8,10-13,18,21,28,30H,9,14-16H2,1-2H3