7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]purine-2,6-dione

Systemtic Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-[4-(tetrahydrofuran-2-carbonyl)piperazin-1-yl]purine-2,6-dione CAS Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-[4-[oxo(2-oxolanyl)methyl]-1-piperazinyl]purine-2,6-dione IUPAC Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-[4-(oxolane-2-carbonyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 7-(4-bromobenzyl)-1,3-dimethyl-8-[4-(tetrahydrofuran-2-carbonyl)piperazino]xanthine Formula: C23H27BrN6O4 MolecularWeight: 531.40228

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=O)C4CCCO4)CC5=CC=C(C=C5)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=O)C4CCCO4)CC5=CC=C(C=C5)Br

InChI

InChI=1S/C23H27BrN6O4/c1-26-19-18(21(32)27(2)23(26)33)30(14-15-5-7-16(24)8-6-15)22(25-19)29-11-9-28(10-12-29)20(31)17-4-3-13-34-17/h5-8,17H,3-4,9-14H2,1-2H3