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

Systemtic Name: 3-methyl-1-(5-oxidanylidenehexyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-1-(5-oxohexyl)purine-2,6-dione CAS Name: 3-methyl-1-(5-oxohexyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-1-(5-oxohexyl)purine-2,6-dione Traditional Name: 7-benzyl-1-(5-ketohexyl)-3-methyl-xanthine Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C

Isomeric SMILES

CC(=O)CCCCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C

InChI

InChI=1S/C19H22N4O3/c1-14(24)8-6-7-11-23-18(25)16-17(21(2)19(23)26)20-13-22(16)12-15-9-4-3-5-10-15/h3-5,9-10,13H,6-8,11-12H2,1-2H3