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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C17H19BrN4O2/c1-11(2)9-22-14-13(15(23)20(3)17(22)24)21(16(18)19-14)10-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3