8-bromanyl-1,3-dimethyl-9-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-9-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]purine-2,6-dione Traditional Name: 8-bromo-1,3-dimethyl-9-[4-(pyrrolidine-1-carbonyl)benzyl]xanthine Formula: C19H20BrN5O3 MolecularWeight: 446.2978

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CC=C(C=C3)C(=O)N4CCCC4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CC=C(C=C3)C(=O)N4CCCC4)Br

InChI

InChI=1S/C19H20BrN5O3/c1-22-15-14(17(27)23(2)19(22)28)21-18(20)25(15)11-12-5-7-13(8-6-12)16(26)24-9-3-4-10-24/h5-8H,3-4,9-11H2,1-2H3