1,3,8-trimethyl-7-(5-oxidanylidenehexyl)purine-2,6-dione

Systemtic Name: 1,3,8-trimethyl-7-(5-oxidanylidenehexyl)purine-2,6-dione Openeye Name: 1,3,8-trimethyl-7-(5-oxohexyl)purine-2,6-dione CAS Name: 1,3,8-trimethyl-7-(5-oxohexyl)purine-2,6-dione IUPAC Name: 1,3,8-trimethyl-7-(5-oxohexyl)purine-2,6-dione Traditional Name: 7-(5-ketohexyl)-1,3,8-trimethyl-xanthine Formula: C14H20N4O3 MolecularWeight: 292.3336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CCCCC(=O)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC1=NC2=C(N1CCCCC(=O)C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C14H20N4O3/c1-9(19)7-5-6-8-18-10(2)15-12-11(18)13(20)17(4)14(21)16(12)3/h5-8H2,1-4H3