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

Systemtic Name: 5,5-dimethyl-3-oxidanylidene-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-cyclohexen-1-olate Openeye Name: 5,5-dimethyl-3-oxo-2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanyl-cyclohexen-1-olate CAS Name: 5,5-dimethyl-3-oxo-2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]-1-cyclohexenolate IUPAC Name: 5,5-dimethyl-3-oxo-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylcyclohexen-1-olate Traditional Name: 2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]-3-keto-5,5-dimethyl-cyclohexen-1-olate Formula: C16H19N4O4S- MolecularWeight: 363.41146

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)SC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)SC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)[O-])C

InChI

InChI=1S/C16H20N4O4S/c1-16(2)6-8(21)11(9(22)7-16)25-14-17-12-10(18(14)3)13(23)20(5)15(24)19(12)4/h21H,6-7H2,1-5H3/p-1