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

Systemtic Name: 6-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1-(2-oxidanyl-6-phenyl-hexan-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(3,4-dimethoxyphenyl)methyl]-1-[1-(1-hydroxyethyl)-4-phenyl-butyl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(3,4-dimethoxyphenyl)methyl]-1-(2-hydroxy-6-phenylhexan-3-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(3,4-dimethoxyphenyl)methyl]-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-veratryl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O4/c1-17-25-26(31(30-17)21(18(2)32)12-8-11-19-9-6-5-7-10-19)28-24(29-27(25)33)16-20-13-14-22(34-3)23(15-20)35-4/h5-7,9-10,13-15,18,21,30,32H,8,11-12,16H2,1-4H3