8-(bromomethyl)-7-(2-oxidanylidenepropyl)-3-(phenylmethyl)-1-propyl-purine-2,6-dione

Systemtic Name: 8-(bromomethyl)-7-(2-oxidanylidenepropyl)-3-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 7-acetonyl-3-benzyl-8-(bromomethyl)-1-propyl-purine-2,6-dione CAS Name: 8-(bromomethyl)-7-(2-oxopropyl)-3-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 3-benzyl-8-(bromomethyl)-7-(2-oxopropyl)-1-propylpurine-2,6-dione Traditional Name: 7-acetonyl-3-benzyl-8-(bromomethyl)-1-propyl-xanthine Formula: C19H21BrN4O3 MolecularWeight: 433.29904

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC(=O)C)CBr)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC(=O)C)CBr)N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H21BrN4O3/c1-3-9-22-18(26)16-17(21-15(10-20)23(16)11-13(2)25)24(19(22)27)12-14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3