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

Systemtic Name: 6-[(4-aminophenyl)methyl]-3-ethyl-1-(2-oxidanyl-6-phenyl-hexan-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(4-aminophenyl)methyl]-3-ethyl-1-[1-(1-hydroxyethyl)-4-phenyl-butyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(4-aminophenyl)methyl]-3-ethyl-1-(2-hydroxy-6-phenylhexan-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(4-aminophenyl)methyl]-3-ethyl-1-(2-hydroxy-6-phenylhexan-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(4-aminobenzyl)-3-ethyl-1-[1-(1-hydroxyethyl)-4-phenyl-butyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N5O2/c1-3-21-24-25(28-23(29-26(24)33)16-19-12-14-20(27)15-13-19)31(30-21)22(17(2)32)11-7-10-18-8-5-4-6-9-18/h4-6,8-9,12-15,17,22,30,32H,3,7,10-11,16,27H2,1-2H3