8-[bis(fluoranyl)methyl]-1-methyl-3-pentyl-7H-purine-2,6-dione

Systemtic Name: 8-[bis(fluoranyl)methyl]-1-methyl-3-pentyl-7H-purine-2,6-dione Openeye Name: 8-(difluoromethyl)-1-methyl-3-pentyl-7H-purine-2,6-dione CAS Name: 8-(difluoromethyl)-1-methyl-3-pentyl-7H-purine-2,6-dione IUPAC Name: 8-(difluoromethyl)-1-methyl-3-pentyl-7H-purine-2,6-dione Traditional Name: 3-amyl-8-(difluoromethyl)-1-methyl-7H-purine-2,6-quinone Formula: C12H16F2N4O2 MolecularWeight: 286.277846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C(=O)N(C1=O)C)NC(=N2)C(F)F

Isomeric SMILES

CCCCCN1C2=C(C(=O)N(C1=O)C)NC(=N2)C(F)F

InChI

InChI=1S/C12H16F2N4O2/c1-3-4-5-6-18-10-7(11(19)17(2)12(18)20)15-9(16-10)8(13)14/h8H,3-6H2,1-2H3,(H,15,16)