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

Systemtic Name: 1,3-dibutyl-7-(5-oxidanylidenehexyl)purine-2,6-dione Openeye Name: 1,3-dibutyl-7-(5-oxohexyl)purine-2,6-dione CAS Name: 1,3-dibutyl-7-(5-oxohexyl)purine-2,6-dione IUPAC Name: 1,3-dibutyl-7-(5-oxohexyl)purine-2,6-dione Traditional Name: 1,3-dibutyl-7-(5-ketohexyl)xanthine Formula: C19H30N4O3 MolecularWeight: 362.4665

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O3/c1-4-6-12-22-17-16(18(25)23(19(22)26)13-7-5-2)21(14-20-17)11-9-8-10-15(3)24/h14H,4-13H2,1-3H3