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

Systemtic Name: 6-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-(2-oxidanyl-6-phenyl-hexan-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-[1-(1-hydroxyethyl)-4-phenyl-butyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-(2-hydroxy-6-phenylhexan-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-(2-hydroxy-6-phenylhexan-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-ethyl-1-[1-(1-hydroxyethyl)-4-phenyl-butyl]-6-veratryl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C28H34N4O4 MolecularWeight: 490.59396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NC(=NC2=O)CC3=CC(=C(C=C3)OC)OC)N(N1)C(CCCC4=CC=CC=C4)C(C)O

Isomeric SMILES

CCC1=C2C(=NC(=NC2=O)CC3=CC(=C(C=C3)OC)OC)N(N1)C(CCCC4=CC=CC=C4)C(C)O

InChI

InChI=1S/C28H34N4O4/c1-5-21-26-27(32(31-21)22(18(2)33)13-9-12-19-10-7-6-8-11-19)29-25(30-28(26)34)17-20-14-15-23(35-3)24(16-20)36-4/h6-8,10-11,14-16,18,22,31,33H,5,9,12-13,17H2,1-4H3