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

Systemtic Name: 1-[(3-bromophenyl)methyl]-8-(furan-2-ylmethylamino)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(3-bromophenyl)methyl]-8-(2-furylmethylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(3-bromophenyl)methyl]-8-(2-furanylmethylamino)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(3-bromophenyl)methyl]-8-(furan-2-ylmethylamino)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(3-bromobenzyl)-8-(2-furfurylamino)-3,7-dimethyl-xanthine Formula: C19H18BrN5O3 MolecularWeight: 444.28192

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)N(C2=O)CC4=CC(=CC=C4)Br)C

Isomeric SMILES

CN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)N(C2=O)CC4=CC(=CC=C4)Br)C

InChI

InChI=1S/C19H18BrN5O3/c1-23-15-16(22-18(23)21-10-14-7-4-8-28-14)24(2)19(27)25(17(15)26)11-12-5-3-6-13(20)9-12/h3-9H,10-11H2,1-2H3,(H,21,22)