3-methyl-1-(5-oxidanylidenehexyl)-7-(2-oxidanylpropyl)purine-2,6-dione

Systemtic Name: 3-methyl-1-(5-oxidanylidenehexyl)-7-(2-oxidanylpropyl)purine-2,6-dione Openeye Name: 7-(2-hydroxypropyl)-3-methyl-1-(5-oxohexyl)purine-2,6-dione CAS Name: 7-(2-hydroxypropyl)-3-methyl-1-(5-oxohexyl)purine-2,6-dione IUPAC Name: 7-(2-hydroxypropyl)-3-methyl-1-(5-oxohexyl)purine-2,6-dione Traditional Name: 7-(2-hydroxypropyl)-1-(5-ketohexyl)-3-methyl-xanthine Formula: C15H22N4O4 MolecularWeight: 322.35958

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C)O

Isomeric SMILES

CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C)O

InChI

InChI=1S/C15H22N4O4/c1-10(20)6-4-5-7-19-14(22)12-13(17(3)15(19)23)16-9-18(12)8-11(2)21/h9,11,21H,4-8H2,1-3H3