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

Systemtic Name: 7-bromanyl-1,3-dimethyl-8-[3-(4-phenylpiperazin-1-yl)propylamino]purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 7-bromo-1,3-dimethyl-8-[3-(4-phenylpiperazin-1-yl)propylamino]purino[7,8-a]pyrimidine-2,4-dione CAS Name: 7-bromo-1,3-dimethyl-8-[3-(4-phenyl-1-piperazinyl)propylamino]purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 7-bromo-1,3-dimethyl-8-[3-(4-phenylpiperazin-1-yl)propylamino]purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 7-bromo-1,3-dimethyl-8-[3-(4-phenylpiperazino)propylamino]purino[7,8-a]pyrimidine-2,4-quinone Formula: C23H27BrN8O2 MolecularWeight: 527.41688

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(C(=NC3=N2)NCCCN4CCN(CC4)C5=CC=CC=C5)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(C(=NC3=N2)NCCCN4CCN(CC4)C5=CC=CC=C5)Br

InChI

InChI=1S/C23H27BrN8O2/c1-28-20-18(21(33)29(2)23(28)34)32-15-17(24)19(26-22(32)27-20)25-9-6-10-30-11-13-31(14-12-30)16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3,(H,25,26,27)