9-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-8-bromanyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 9-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-8-bromanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 9-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-8-bromo-1,3-dimethyl-purine-2,6-dione CAS Name: 9-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-8-bromo-1,3-dimethylpurine-2,6-dione IUPAC Name: 9-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-8-bromo-1,3-dimethylpurine-2,6-dione Traditional Name: 9-[[4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl]-8-bromo-1,3-dimethyl-xanthine Formula: C13H16BrN9O2 MolecularWeight: 410.22924

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=NC(=NC(=N3)N(C)C)N)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=NC(=NC(=N3)N(C)C)N)Br

InChI

InChI=1S/C13H16BrN9O2/c1-20(2)12-17-6(16-11(15)19-12)5-23-8-7(18-10(23)14)9(24)22(4)13(25)21(8)3/h5H2,1-4H3,(H2,15,16,17,19)