8-bromanyl-1-butyl-3-methyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-1-butyl-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-bromo-1-butyl-3-methyl-purine-2,6-dione CAS Name: 8-bromo-1-butyl-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-bromo-1-butyl-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-bromo-1-butyl-3-methyl-xanthine Formula: C17H19BrN4O2 MolecularWeight: 391.26236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)Br)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)Br)N(C1=O)C

InChI

InChI=1S/C17H19BrN4O2/c1-3-4-10-21-15(23)13-14(20(2)17(21)24)19-16(18)22(13)11-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3