2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-5,5-dimethyl-3-oxo-cyclohexen-1-olate CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-5,5-dimethyl-3-oxo-1-cyclohexenolate IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-5,5-dimethyl-3-oxocyclohexen-1-olate Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-3-keto-5,5-dimethyl-cyclohexen-1-olate Formula: C13H14N5O2S- MolecularWeight: 304.34756

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)SC2=NC3=C(N2)C(=NC=N3)N)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)SC2=NC3=C(N2)C(=NC=N3)N)[O-])C

InChI

InChI=1S/C13H15N5O2S/c1-13(2)3-6(19)9(7(20)4-13)21-12-17-8-10(14)15-5-16-11(8)18-12/h5,19H,3-4H2,1-2H3,(H3,14,15,16,17,18)/p-1