7-[(4-fluorophenyl)methyl]-3-methyl-6-oxidanylidene-8-[[(2S)-2-oxidanylpropyl]amino]purin-2-olate

Systemtic Name: 7-[(4-fluorophenyl)methyl]-3-methyl-6-oxidanylidene-8-[[(2S)-2-oxidanylpropyl]amino]purin-2-olate Openeye Name: 7-[(4-fluorophenyl)methyl]-8-[[(2S)-2-hydroxypropyl]amino]-3-methyl-6-oxo-purin-2-olate CAS Name: 7-[(4-fluorophenyl)methyl]-8-[[(2S)-2-hydroxypropyl]amino]-3-methyl-6-oxo-2-purinolate IUPAC Name: 7-[(4-fluorophenyl)methyl]-8-[[(2S)-2-hydroxypropyl]amino]-3-methyl-6-oxopurin-2-olate Traditional Name: 7-(4-fluorobenzyl)-8-[[(2S)-2-hydroxypropyl]amino]-6-keto-3-methyl-purin-2-olate Formula: C16H17FN5O3- MolecularWeight: 346.336283

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)N=C(N2C)[O-])O

Isomeric SMILES

C[C@@H](CNC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)N=C(N2C)[O-])O

InChI

InChI=1S/C16H18FN5O3/c1-9(23)7-18-15-19-13-12(14(24)20-16(25)21(13)2)22(15)8-10-3-5-11(17)6-4-10/h3-6,9,23H,7-8H2,1-2H3,(H,18,19)(H,20,24,25)/p-1/t9-/m0/s1