7-methyl-1-(5-oxidanylhexyl)-3H-purine-2,6-dione

Systemtic Name: 7-methyl-1-(5-oxidanylhexyl)-3H-purine-2,6-dione Openeye Name: 1-(5-hydroxyhexyl)-7-methyl-3H-purine-2,6-dione CAS Name: 1-(5-hydroxyhexyl)-7-methyl-3H-purine-2,6-dione IUPAC Name: 1-(5-hydroxyhexyl)-7-methyl-3H-purine-2,6-dione Traditional Name: 1-(5-hydroxyhexyl)-7-methyl-xanthine Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(NC1=O)N=CN2C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(NC1=O)N=CN2C)O

InChI

InChI=1S/C12H18N4O3/c1-8(17)5-3-4-6-16-11(18)9-10(14-12(16)19)13-7-15(9)2/h7-8,17H,3-6H2,1-2H3,(H,14,19)