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7-(methoxymethyl)-3-methyl-1-[(5S)-5-oxidanylhexyl]purine-2,6-dione

7-(methoxymethyl)-3-methyl-1-[(5S)-5-oxidanylhexyl]purine-2,6-dione

Systemtic Name:7-(methoxymethyl)-3-methyl-1-[(5S)-5-oxidanylhexyl]purine-2,6-dione
Openeye Name:1-[(5S)-5-hydroxyhexyl]-7-(methoxymethyl)-3-methyl-purine-2,6-dione
CAS Name:1-[(5S)-5-hydroxyhexyl]-7-(methoxymethyl)-3-methylpurine-2,6-dione
IUPAC Name:1-[(5S)-5-hydroxyhexyl]-7-(methoxymethyl)-3-methylpurine-2,6-dione
Traditional Name:1-[(5S)-5-hydroxyhexyl]-7-(methoxymethyl)-3-methyl-xanthine
Formula: C14H22N4O4
MolecularWeight: 310.34888
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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=CN2COC)N(C1=O)C)O


Isomeric SMILES

C[C@@H](CCCCN1C(=O)C2=C(N=CN2COC)N(C1=O)C)O


InChI

InChI=1S/C14H22N4O4/c1-10(19)6-4-5-7-18-13(20)11-12(16(2)14(18)21)15-8-17(11)9-22-3/h8,10,19H,4-7,9H2,1-3H3/t10-/m0/s1


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