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

Systemtic Name: 8-[[(2S)-butan-2-yl]amino]-7-[(4-fluorophenyl)methyl]-3-methyl-6-oxidanylidene-purin-2-olate Openeye Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-[[(1S)-1-methylpropyl]amino]-6-oxo-purin-2-olate CAS Name: 8-[[(2S)-butan-2-yl]amino]-7-[(4-fluorophenyl)methyl]-3-methyl-6-oxo-2-purinolate IUPAC Name: 8-[[(2S)-butan-2-yl]amino]-7-[(4-fluorophenyl)methyl]-3-methyl-6-oxopurin-2-olate Traditional Name: 7-(4-fluorobenzyl)-6-keto-3-methyl-8-[[(1S)-1-methylpropyl]amino]purin-2-olate Formula: C17H19FN5O2- MolecularWeight: 344.363463

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)N=C(N2C)[O-]

Isomeric SMILES

CC[C@H](C)NC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)N=C(N2C)[O-]

InChI

InChI=1S/C17H20FN5O2/c1-4-10(2)19-16-20-14-13(15(24)21-17(25)22(14)3)23(16)9-11-5-7-12(18)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,19,20)(H,21,24,25)/p-1/t10-/m0/s1