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

Systemtic Name: 8-bromanyl-1-(2-hydroxyethyl)-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-bromo-1-(2-hydroxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-bromo-1-(2-hydroxyethyl)-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-bromo-1-(2-hydroxyethyl)-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-bromo-1-(2-hydroxyethyl)-3-methyl-xanthine Formula: C15H15BrN4O3 MolecularWeight: 379.2086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrN4O3/c1-18-12-11(13(22)19(7-8-21)15(18)23)20(14(16)17-12)9-10-5-3-2-4-6-10/h2-6,21H,7-9H2,1H3