7-[(2S)-3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-[(2S)-2-oxidanylpropyl]sulfanyl-purine-2,6-dione

Systemtic Name: 7-[(2S)-3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-[(2S)-2-oxidanylpropyl]sulfanyl-purine-2,6-dione Openeye Name: 7-[(2S)-3-(4-ethylphenoxy)-2-hydroxy-propyl]-8-[(2S)-2-hydroxypropyl]sulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-8-[[(2S)-2-hydroxypropyl]thio]-3-methylpurine-2,6-dione IUPAC Name: 7-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-8-[(2S)-2-hydroxypropyl]sulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-[(2S)-3-(4-ethylphenoxy)-2-hydroxy-propyl]-8-[[(2S)-2-hydroxypropyl]thio]-3-methyl-xanthine Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2SCC(C)O)N(C(=O)NC3=O)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)OC[C@H](CN2C3=C(N=C2SC[C@H](C)O)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C20H26N4O5S/c1-4-13-5-7-15(8-6-13)29-10-14(26)9-24-16-17(21-20(24)30-11-12(2)25)23(3)19(28)22-18(16)27/h5-8,12,14,25-26H,4,9-11H2,1-3H3,(H,22,27,28)/t12-,14-/m0/s1