1-butyl-7-(2-oxidanylidenepropyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-butyl-7-(2-oxidanylidenepropyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 7-acetonyl-3-benzyl-1-butyl-purine-2,6-dione CAS Name: 1-butyl-7-(2-oxopropyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-butyl-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-3-benzyl-1-butyl-xanthine Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=CN2CC(=O)C)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)C2=C(N=CN2CC(=O)C)N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O3/c1-3-4-10-22-18(25)16-17(20-13-21(16)11-14(2)24)23(19(22)26)12-15-8-6-5-7-9-15/h5-9,13H,3-4,10-12H2,1-2H3