7-[(4-cyanophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-olate

Systemtic Name: 7-[(4-cyanophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-olate Openeye Name: 7-[(4-cyanophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-olate CAS Name: 7-[(4-cyanophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinolate IUPAC Name: 7-[(4-cyanophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-olate Traditional Name: 7-(4-cyanobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-olate Formula: C15H12N5O3- MolecularWeight: 310.28748

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[O-])CC3=CC=C(C=C3)C#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[O-])CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C15H13N5O3/c1-18-12-11(13(21)19(2)15(18)23)20(14(22)17-12)8-10-5-3-9(7-16)4-6-10/h3-6H,8H2,1-2H3,(H,17,22)/p-1