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

Systemtic Name: 2-[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 2-(7-butyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-5,5-dimethyl-3-oxo-cyclohexen-1-olate CAS Name: 2-[(7-butyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-5,5-dimethyl-3-oxo-1-cyclohexenolate IUPAC Name: 2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-5,5-dimethyl-3-oxocyclohexen-1-olate Traditional Name: 2-[(7-butyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-3-keto-5,5-dimethyl-cyclohexen-1-olate Formula: C19H25N4O4S- MolecularWeight: 405.4912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SC3=C(CC(CC3=O)(C)C)[O-])N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SC3=C(CC(CC3=O)(C)C)[O-])N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H26N4O4S/c1-6-7-8-23-13-15(21(4)18(27)22(5)16(13)26)20-17(23)28-14-11(24)9-19(2,3)10-12(14)25/h24H,6-10H2,1-5H3/p-1