6-[(4-bromophenyl)methyl]-1-decan-4-yl-3-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(4-bromophenyl)methyl]-1-decan-4-yl-3-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(4-bromophenyl)methyl]-3-propyl-1-(1-propylheptyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(4-bromophenyl)methyl]-1-decan-4-yl-3-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(4-bromophenyl)methyl]-1-decan-4-yl-3-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(4-bromobenzyl)-3-propyl-1-(1-propylheptyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C25H35BrN4O MolecularWeight: 487.4756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCC)N1C2=NC(=NC(=O)C2=C(N1)CCC)CC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCCCC(CCC)N1C2=NC(=NC(=O)C2=C(N1)CCC)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C25H35BrN4O/c1-4-7-8-9-12-20(10-5-2)30-24-23(21(29-30)11-6-3)25(31)28-22(27-24)17-18-13-15-19(26)16-14-18/h13-16,20,29H,4-12,17H2,1-3H3