7-butyl-9-(4-fluorophenyl)-1,3-dimethyl-6-oxidanyl-purino[7,8-a]pyrimidine-2,4,8-trione

Systemtic Name: 7-butyl-9-(4-fluorophenyl)-1,3-dimethyl-6-oxidanyl-purino[7,8-a]pyrimidine-2,4,8-trione Openeye Name: 7-butyl-9-(4-fluorophenyl)-6-hydroxy-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione CAS Name: 7-butyl-9-(4-fluorophenyl)-6-hydroxy-1,3-dimethylpurino[7,8-a]pyrimidine-2,4,8-trione IUPAC Name: 7-butyl-9-(4-fluorophenyl)-6-hydroxy-1,3-dimethylpurino[7,8-a]pyrimidine-2,4,8-trione Traditional Name: 7-butyl-9-(4-fluorophenyl)-6-hydroxy-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione Formula: C20H20FN5O4 MolecularWeight: 413.402303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2C3=C(N=C2N(C1=O)C4=CC=C(C=C4)F)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CCCCC1=C(N2C3=C(N=C2N(C1=O)C4=CC=C(C=C4)F)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C20H20FN5O4/c1-4-5-6-13-16(27)25(12-9-7-11(21)8-10-12)19-22-15-14(26(19)17(13)28)18(29)24(3)20(30)23(15)2/h7-10,28H,4-6H2,1-3H3