7-butyl-1,3-dimethyl-8-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-purine-2,6-dione

Systemtic Name: 7-butyl-1,3-dimethyl-8-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-purine-2,6-dione Openeye Name: 7-butyl-1,3-dimethyl-8-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-purine-2,6-dione CAS Name: 7-butyl-1,3-dimethyl-8-[[2-(4-methyl-1-piperazinyl)-2-oxoethyl]thio]purine-2,6-dione IUPAC Name: 7-butyl-1,3-dimethyl-8-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylpurine-2,6-dione Traditional Name: 7-butyl-8-[[2-keto-2-(4-methylpiperazino)ethyl]thio]-1,3-dimethyl-xanthine Formula: C18H28N6O3S MolecularWeight: 408.51832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)N3CCN(CC3)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)N3CCN(CC3)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H28N6O3S/c1-5-6-7-24-14-15(21(3)18(27)22(4)16(14)26)19-17(24)28-12-13(25)23-10-8-20(2)9-11-23/h5-12H2,1-4H3