(4S,5R)-8-chloranyl-3-methyl-6-oxidanylidene-5,7-dihydro-4H-purin-2-olate

Systemtic Name: (4S,5R)-8-chloranyl-3-methyl-6-oxidanylidene-5,7-dihydro-4H-purin-2-olate Openeye Name: (4S,5R)-8-chloro-3-methyl-6-oxo-5,7-dihydro-4H-purin-2-olate CAS Name: (4S,5R)-8-chloro-3-methyl-6-oxo-5,7-dihydro-4H-purin-2-olate IUPAC Name: (4S,5R)-8-chloro-3-methyl-6-oxo-5,7-dihydro-4H-purin-2-olate Traditional Name: (4S,5R)-8-chloro-6-keto-3-methyl-5,7-dihydro-4H-purin-2-olate Formula: C6H6ClN4O2- MolecularWeight: 201.59044

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(C(=O)N=C1[O-])NC(=N2)Cl

Isomeric SMILES

CN1[C@@H]2[C@H](C(=O)N=C1[O-])NC(=N2)Cl

InChI

InChI=1S/C6H7ClN4O2/c1-11-3-2(8-5(7)9-3)4(12)10-6(11)13/h2-3H,1H3,(H,8,9)(H,10,12,13)/p-1/t2-,3-/m1/s1