2-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]methylamino]-7H-purin-6-olate

Systemtic Name: 2-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]methylamino]-7H-purin-6-olate Openeye Name: 2-[(4,4-dimethyl-2,6-dioxo-cyclohexylidene)methylamino]-7H-purin-6-olate CAS Name: 2-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methylamino]-7H-purin-6-olate IUPAC Name: 2-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methylamino]-7H-purin-6-olate Traditional Name: 2-[(2,6-diketo-4,4-dimethyl-cyclohexylidene)methylamino]-7H-purin-6-olate Formula: C14H14N5O3- MolecularWeight: 300.29266

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CNC2=NC3=C(C(=N2)[O-])NC=N3)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CNC2=NC3=C(C(=N2)[O-])NC=N3)C(=O)C1)C

InChI

InChI=1S/C14H15N5O3/c1-14(2)3-8(20)7(9(21)4-14)5-15-13-18-11-10(12(22)19-13)16-6-17-11/h5-6H,3-4H2,1-2H3,(H3,15,16,17,18,19,22)/p-1