7-butyl-8-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]sulfanyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-butyl-8-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]sulfanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-butyl-8-(4,4-dimethyl-2,6-dioxo-cyclohexyl)sulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-butyl-8-[(4,4-dimethyl-2,6-dioxocyclohexyl)thio]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-butyl-8-(4,4-dimethyl-2,6-dioxocyclohexyl)sulfanyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-butyl-8-[(2,6-diketo-4,4-dimethyl-cyclohexyl)thio]-1,3-dimethyl-xanthine Formula: C19H26N4O4S MolecularWeight: 406.49914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SC3C(=O)CC(CC3=O)(C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SC3C(=O)CC(CC3=O)(C)C)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/h14H,6-10H2,1-5H3