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

Systemtic Name: 7-bromanyl-1,3-dimethyl-8-[2-(4-phenylpiperazin-1-yl)ethylamino]purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 7-bromo-1,3-dimethyl-8-[2-(4-phenylpiperazin-1-yl)ethylamino]purino[7,8-a]pyrimidine-2,4-dione CAS Name: 7-bromo-1,3-dimethyl-8-[2-(4-phenyl-1-piperazinyl)ethylamino]purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 7-bromo-1,3-dimethyl-8-[2-(4-phenylpiperazin-1-yl)ethylamino]purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 7-bromo-1,3-dimethyl-8-[2-(4-phenylpiperazino)ethylamino]purino[7,8-a]pyrimidine-2,4-quinone Formula: C22H25BrN8O2 MolecularWeight: 513.3903

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(C(=NC3=N2)NCCN4CCN(CC4)C5=CC=CC=C5)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(C(=NC3=N2)NCCN4CCN(CC4)C5=CC=CC=C5)Br

InChI

InChI=1S/C22H25BrN8O2/c1-27-19-17(20(32)28(2)22(27)33)31-14-16(23)18(25-21(31)26-19)24-8-9-29-10-12-30(13-11-29)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,24,25,26)