3-methyl-7-octyl-8-[(2S)-2-oxidanylpropyl]sulfanyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-octyl-8-[(2S)-2-oxidanylpropyl]sulfanyl-purine-2,6-dione Openeye Name: 8-[(2S)-2-hydroxypropyl]sulfanyl-3-methyl-7-octyl-purine-2,6-dione CAS Name: 8-[[(2S)-2-hydroxypropyl]thio]-3-methyl-7-octylpurine-2,6-dione IUPAC Name: 8-[(2S)-2-hydroxypropyl]sulfanyl-3-methyl-7-octylpurine-2,6-dione Traditional Name: 8-[[(2S)-2-hydroxypropyl]thio]-3-methyl-7-octyl-xanthine Formula: C17H28N4O3S MolecularWeight: 368.49422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SCC(C)O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SC[C@H](C)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H28N4O3S/c1-4-5-6-7-8-9-10-21-13-14(18-17(21)25-11-12(2)22)20(3)16(24)19-15(13)23/h12,22H,4-11H2,1-3H3,(H,19,23,24)/t12-/m0/s1