1-[(3-bromophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 1-[(3-bromophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 1-[(3-bromophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 1-[(3-bromophenyl)methyl]-3,7-dimethyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 1-[(3-bromophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 1-(3-bromobenzyl)-3,7-dimethyl-8-pyrrolidino-xanthine Formula: C18H20BrN5O2 MolecularWeight: 418.2877

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3CCCC3)N(C(=O)N(C2=O)CC4=CC(=CC=C4)Br)C

Isomeric SMILES

CN1C2=C(N=C1N3CCCC3)N(C(=O)N(C2=O)CC4=CC(=CC=C4)Br)C

InChI

InChI=1S/C18H20BrN5O2/c1-21-14-15(20-17(21)23-8-3-4-9-23)22(2)18(26)24(16(14)25)11-12-6-5-7-13(19)10-12/h5-7,10H,3-4,8-9,11H2,1-2H3