8-[5-azanyl-3-(4-bromophenyl)pyrazol-1-yl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[5-azanyl-3-(4-bromophenyl)pyrazol-1-yl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[5-amino-3-(4-bromophenyl)pyrazol-1-yl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[5-amino-3-(4-bromophenyl)-1-pyrazolyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[5-amino-3-(4-bromophenyl)pyrazol-1-yl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[5-amino-3-(4-bromophenyl)pyrazol-1-yl]-1,3,7-trimethyl-xanthine Formula: C17H16BrN7O2 MolecularWeight: 430.25864

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3C(=CC(=N3)C4=CC=C(C=C4)Br)N)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1N3C(=CC(=N3)C4=CC=C(C=C4)Br)N)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H16BrN7O2/c1-22-13-14(23(2)17(27)24(3)15(13)26)20-16(22)25-12(19)8-11(21-25)9-4-6-10(18)7-5-9/h4-8H,19H2,1-3H3