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

Systemtic Name: 3-methoxy-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-methoxy-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-hydroxy-6-phenylhexan-3-yl)-3-methoxy-6-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-benzyl-1-(2-hydroxy-6-phenylhexan-3-yl)-3-methoxy-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-benzyl-1-[1-(1-hydroxyethyl)-4-phenyl-butyl]-3-methoxy-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCC1=CC=CC=C1)N2C3=NC(=NC(=O)C3=C(N2)OC)CC4=CC=CC=C4)O

Isomeric SMILES

CC(C(CCCC1=CC=CC=C1)N2C3=NC(=NC(=O)C3=C(N2)OC)CC4=CC=CC=C4)O

InChI

InChI=1S/C25H28N4O3/c1-17(30)20(15-9-14-18-10-5-3-6-11-18)29-23-22(25(28-29)32-2)24(31)27-21(26-23)16-19-12-7-4-8-13-19/h3-8,10-13,17,20,28,30H,9,14-16H2,1-2H3