8-bromanyl-1,3-dimethyl-7-(2-phenoxyethyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-(2-phenoxyethyl)purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-7-(2-phenoxyethyl)purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 8-bromo-1,3-dimethyl-7-(2-phenoxyethyl)xanthine Formula: C15H15BrN4O3 MolecularWeight: 379.2086

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CCOC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CCOC3=CC=CC=C3

InChI

InChI=1S/C15H15BrN4O3/c1-18-12-11(13(21)19(2)15(18)22)20(14(16)17-12)8-9-23-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3