8-bromanyl-1,3-dimethyl-9-[3-(3-methylphenoxy)propyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-[3-(3-methylphenoxy)propyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-9-[3-(3-methylphenoxy)propyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-[3-(3-methylphenoxy)propyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-[3-(3-methylphenoxy)propyl]purine-2,6-dione Traditional Name: 8-bromo-1,3-dimethyl-9-[3-(3-methylphenoxy)propyl]xanthine Formula: C17H19BrN4O3 MolecularWeight: 407.26176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

Isomeric SMILES

CC1=CC(=CC=C1)OCCCN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

InChI

InChI=1S/C17H19BrN4O3/c1-11-6-4-7-12(10-11)25-9-5-8-22-14-13(19-16(22)18)15(23)21(3)17(24)20(14)2/h4,6-7,10H,5,8-9H2,1-3H3