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

Systemtic Name: 3-methyl-8-[(2S)-2-oxidanylpropyl]sulfanyl-7-pentyl-purine-2,6-dione Openeye Name: 8-[(2S)-2-hydroxypropyl]sulfanyl-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-[[(2S)-2-hydroxypropyl]thio]-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-[(2S)-2-hydroxypropyl]sulfanyl-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-[[(2S)-2-hydroxypropyl]thio]-3-methyl-xanthine Formula: C14H22N4O3S MolecularWeight: 326.41448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCC(C)O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SC[C@H](C)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H22N4O3S/c1-4-5-6-7-18-10-11(15-14(18)22-8-9(2)19)17(3)13(21)16-12(10)20/h9,19H,4-8H2,1-3H3,(H,16,20,21)/t9-/m0/s1