5-[(3,4-dichlorophenyl)methyl-[4,4,4-tris(fluoranyl)butyl]amino]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[(3,4-dichlorophenyl)methyl-[4,4,4-tris(fluoranyl)butyl]amino]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[(3,4-dichlorophenyl)methyl-(4,4,4-trifluorobutyl)amino]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[(3,4-dichlorophenyl)methyl-(4,4,4-trifluorobutyl)amino]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[(3,4-dichlorophenyl)methyl-(4,4,4-trifluorobutyl)amino]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[(3,4-dichlorobenzyl)-(4,4,4-trifluorobutyl)amino]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C20H22Cl2F3N5O MolecularWeight: 476.32279

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)N(CCCC(F)(F)F)CC3=CC(=C(C=C3)Cl)Cl)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)N(CCCC(F)(F)F)CC3=CC(=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C20H22Cl2F3N5O/c1-3-5-15-16-17(29(2)28-15)18(31)27-19(26-16)30(9-4-8-20(23,24)25)11-12-6-7-13(21)14(22)10-12/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,26,27,31)