6-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-(2-oxidanyl-6-phenyl-hexan-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-(2-oxidanyl-6-phenyl-hexan-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(1,3-benzodioxol-5-ylmethyl)-1-[1-(1-hydroxyethyl)-4-phenyl-butyl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(1,3-benzodioxol-5-ylmethyl)-1-(2-hydroxy-6-phenylhexan-3-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-(1,3-benzodioxol-5-ylmethyl)-1-(2-hydroxy-6-phenylhexan-3-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-[1-(1-hydroxyethyl)-4-phenyl-butyl]-3-methyl-6-piperonyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=NC2=O)CC3=CC4=C(C=C3)OCO4)N(N1)C(CCCC5=CC=CC=C5)C(C)O

Isomeric SMILES

CC1=C2C(=NC(=NC2=O)CC3=CC4=C(C=C3)OCO4)N(N1)C(CCCC5=CC=CC=C5)C(C)O

InChI

InChI=1S/C26H28N4O4/c1-16-24-25(30(29-16)20(17(2)31)10-6-9-18-7-4-3-5-8-18)27-23(28-26(24)32)14-19-11-12-21-22(13-19)34-15-33-21/h3-5,7-8,11-13,17,20,29,31H,6,9-10,14-15H2,1-2H3