8-bromanyl-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCOC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCOC3=CC=CC=C3

InChI

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