7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-olate

Systemtic Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-olate Openeye Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-olate CAS Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinolate IUPAC Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-olate Traditional Name: 7-(2-chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-olate Formula: C14H12ClN4O3- MolecularWeight: 319.72308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[O-])CC3=CC=CC=C3Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[O-])CC3=CC=CC=C3Cl

InChI

InChI=1S/C14H13ClN4O3/c1-17-11-10(12(20)18(2)14(17)22)19(13(21)16-11)7-8-5-3-4-6-9(8)15/h3-6H,7H2,1-2H3,(H,16,21)/p-1