9-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-oxidanyl-7-propyl-2H-purino[7,8-a]pyrimidine-4,6-dione

Systemtic Name: 9-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-oxidanyl-7-propyl-2H-purino[7,8-a]pyrimidine-4,6-dione Openeye Name: 9-[(4-fluorophenyl)methyl]-8-hydroxy-1,3-dimethyl-7-propyl-2H-purino[7,8-a]pyrimidine-4,6-dione CAS Name: 9-[(4-fluorophenyl)methyl]-8-hydroxy-1,3-dimethyl-7-propyl-2H-purino[7,8-a]pyrimidine-4,6-dione IUPAC Name: 9-[(4-fluorophenyl)methyl]-8-hydroxy-1,3-dimethyl-7-propyl-2H-purino[7,8-a]pyrimidine-4,6-dione Traditional Name: 9-(4-fluorobenzyl)-8-hydroxy-1,3-dimethyl-7-propyl-2H-purino[7,8-a]pyrimidine-4,6-quinone Formula: C20H22FN5O3 MolecularWeight: 399.418783

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(CN3C)C)CC4=CC=C(C=C4)F)O

Isomeric SMILES

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(CN3C)C)CC4=CC=C(C=C4)F)O

InChI

InChI=1S/C20H22FN5O3/c1-4-5-14-17(27)25(10-12-6-8-13(21)9-7-12)20-22-16-15(26(20)18(14)28)19(29)24(3)11-23(16)2/h6-9,27H,4-5,10-11H2,1-3H3