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

Systemtic Name: 9-(4-fluorophenyl)-1,3-dimethyl-6-oxidanyl-7-pentyl-purino[7,8-a]pyrimidine-2,4,8-trione Openeye Name: 9-(4-fluorophenyl)-6-hydroxy-1,3-dimethyl-7-pentyl-purino[7,8-a]pyrimidine-2,4,8-trione CAS Name: 9-(4-fluorophenyl)-6-hydroxy-1,3-dimethyl-7-pentylpurino[7,8-a]pyrimidine-2,4,8-trione IUPAC Name: 9-(4-fluorophenyl)-6-hydroxy-1,3-dimethyl-7-pentylpurino[7,8-a]pyrimidine-2,4,8-trione Traditional Name: 7-amyl-9-(4-fluorophenyl)-6-hydroxy-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione Formula: C21H22FN5O4 MolecularWeight: 427.428883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N2C3=C(N=C2N(C1=O)C4=CC=C(C=C4)F)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CCCCCC1=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/C21H22FN5O4/c1-4-5-6-7-14-17(28)26(13-10-8-12(22)9-11-13)20-23-16-15(27(20)18(14)29)19(30)25(3)21(31)24(16)2/h8-11,29H,4-7H2,1-3H3