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

Systemtic Name: 3-methyl-7-(5-oxidanylhexyl)-1-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 1-acetonyl-7-(5-hydroxyhexyl)-3-methyl-purine-2,6-dione CAS Name: 7-(5-hydroxyhexyl)-3-methyl-1-(2-oxopropyl)purine-2,6-dione IUPAC Name: 7-(5-hydroxyhexyl)-3-methyl-1-(2-oxopropyl)purine-2,6-dione Traditional Name: 1-acetonyl-7-(5-hydroxyhexyl)-3-methyl-xanthine Formula: C15H22N4O4 MolecularWeight: 322.35958

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)C)O

Isomeric SMILES

CC(CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)C)O

InChI

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