7-[(4-fluorophenyl)methyl]-3-methyl-6-oxidanylidene-8-(3-propan-2-yloxypropylamino)purin-2-olate

Systemtic Name: 7-[(4-fluorophenyl)methyl]-3-methyl-6-oxidanylidene-8-(3-propan-2-yloxypropylamino)purin-2-olate Openeye Name: 7-[(4-fluorophenyl)methyl]-8-(3-isopropoxypropylamino)-3-methyl-6-oxo-purin-2-olate CAS Name: 7-[(4-fluorophenyl)methyl]-3-methyl-6-oxo-8-(3-propan-2-yloxypropylamino)-2-purinolate IUPAC Name: 7-[(4-fluorophenyl)methyl]-3-methyl-6-oxo-8-(3-propan-2-yloxypropylamino)purin-2-olate Traditional Name: 7-(4-fluorobenzyl)-8-(3-isopropoxypropylamino)-6-keto-3-methyl-purin-2-olate Formula: C19H23FN5O3- MolecularWeight: 388.416023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)N=C(N2C)[O-]

Isomeric SMILES

CC(C)OCCCNC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)N=C(N2C)[O-]

InChI

InChI=1S/C19H24FN5O3/c1-12(2)28-10-4-9-21-18-22-16-15(17(26)23-19(27)24(16)3)25(18)11-13-5-7-14(20)8-6-13/h5-8,12H,4,9-11H2,1-3H3,(H,21,22)(H,23,26,27)/p-1