(7R)-3-butyl-9-(4-fluorophenyl)-1,7-dimethyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione

Systemtic Name: (7R)-3-butyl-9-(4-fluorophenyl)-1,7-dimethyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Openeye Name: (7R)-3-butyl-9-(4-fluorophenyl)-1,7-dimethyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione CAS Name: (7R)-3-butyl-9-(4-fluorophenyl)-1,7-dimethyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione IUPAC Name: (7R)-3-butyl-9-(4-fluorophenyl)-1,7-dimethyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Traditional Name: (7R)-3-butyl-9-(4-fluorophenyl)-1,7-dimethyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-quinone Formula: C20H25FN5O2+ MolecularWeight: 386.443203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(NC3=[N+]2CC(CN3C4=CC=C(C=C4)F)C)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(NC3=[N+]2C[C@@H](CN3C4=CC=C(C=C4)F)C)N(C1=O)C

InChI

InChI=1S/C20H24FN5O2/c1-4-5-10-24-18(27)16-17(23(3)20(24)28)22-19-25(11-13(2)12-26(16)19)15-8-6-14(21)7-9-15/h6-9,13H,4-5,10-12H2,1-3H3/p+1/t13-/m1/s1