7-bromanyl-1,3-dimethyl-8-[2-(4-phenylpiperazin-1-yl)ethyl]purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 7-bromanyl-1,3-dimethyl-8-[2-(4-phenylpiperazin-1-yl)ethyl]purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 7-bromo-1,3-dimethyl-8-[2-(4-phenylpiperazin-1-yl)ethyl]purino[7,8-a]pyrimidine-2,4-dione CAS Name: 7-bromo-1,3-dimethyl-8-[2-(4-phenyl-1-piperazinyl)ethyl]purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 7-bromo-1,3-dimethyl-8-[2-(4-phenylpiperazin-1-yl)ethyl]purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 7-bromo-1,3-dimethyl-8-[2-(4-phenylpiperazino)ethyl]purino[7,8-a]pyrimidine-2,4-quinone Formula: C22H24BrN7O2 MolecularWeight: 498.37566

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(C(=NC3=N2)CCN4CCN(CC4)C5=CC=CC=C5)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(C(=NC3=N2)CCN4CCN(CC4)C5=CC=CC=C5)Br

InChI

InChI=1S/C22H24BrN7O2/c1-26-19-18(20(31)27(2)22(26)32)30-14-16(23)17(24-21(30)25-19)8-9-28-10-12-29(13-11-28)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3