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

Systemtic Name: 8-(2-azanylethylamino)-7-[(3-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(2-aminoethylamino)-7-[(3-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-aminoethylamino)-7-[(3-bromophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(2-aminoethylamino)-7-[(3-bromophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(2-aminoethylamino)-7-(3-bromobenzyl)-1,3-dimethyl-xanthine Formula: C16H19BrN6O2 MolecularWeight: 407.26506

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN)CC3=CC(=CC=C3)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H19BrN6O2/c1-21-13-12(14(24)22(2)16(21)25)23(15(20-13)19-7-6-18)9-10-4-3-5-11(17)8-10/h3-5,8H,6-7,9,18H2,1-2H3,(H,19,20)