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

Systemtic Name: 7-(methoxymethyl)-3-methyl-1-(5-oxidanylidenehexyl)purine-2,6-dione Openeye Name: 7-(methoxymethyl)-3-methyl-1-(5-oxohexyl)purine-2,6-dione CAS Name: 7-(methoxymethyl)-3-methyl-1-(5-oxohexyl)purine-2,6-dione IUPAC Name: 7-(methoxymethyl)-3-methyl-1-(5-oxohexyl)purine-2,6-dione Traditional Name: 1-(5-ketohexyl)-7-(methoxymethyl)-3-methyl-xanthine Formula: C14H20N4O4 MolecularWeight: 308.333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O4/c1-10(19)6-4-5-7-18-13(20)11-12(16(2)14(18)21)15-8-17(11)9-22-3/h8H,4-7,9H2,1-3H3