8-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)sulfanyl-1,3-dimethyl-7-propyl-purine-2,6-dione

Systemtic Name: 8-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)sulfanyl-1,3-dimethyl-7-propyl-purine-2,6-dione Openeye Name: 8-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)sulfanyl-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 8-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)thio]-1,3-dimethyl-7-propylpurine-2,6-dione IUPAC Name: 8-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)sulfanyl-1,3-dimethyl-7-propylpurine-2,6-dione Traditional Name: 8-[(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)thio]-1,3-dimethyl-7-propyl-xanthine Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SC3=C(CC(CC3=O)(C)C)O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SC3=C(CC(CC3=O)(C)C)O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H24N4O4S/c1-6-7-22-12-14(20(4)17(26)21(5)15(12)25)19-16(22)27-13-10(23)8-18(2,3)9-11(13)24/h23H,6-9H2,1-5H3