3-butyl-1-methyl-7-(4-oxidanylidenepentyl)purine-2,6-dione

Systemtic Name: 3-butyl-1-methyl-7-(4-oxidanylidenepentyl)purine-2,6-dione Openeye Name: 3-butyl-1-methyl-7-(4-oxopentyl)purine-2,6-dione CAS Name: 3-butyl-1-methyl-7-(4-oxopentyl)purine-2,6-dione IUPAC Name: 3-butyl-1-methyl-7-(4-oxopentyl)purine-2,6-dione Traditional Name: 3-butyl-7-(4-ketopentyl)-1-methyl-xanthine Formula: C15H22N4O3 MolecularWeight: 306.36018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)C

InChI

InChI=1S/C15H22N4O3/c1-4-5-9-19-13-12(14(21)17(3)15(19)22)18(10-16-13)8-6-7-11(2)20/h10H,4-9H2,1-3H3