4,7-dimethyl-6-[2-(4-phenacylpiperazin-1-yl)ethyl]purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4,7-dimethyl-6-[2-(4-phenacylpiperazin-1-yl)ethyl]purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7-dimethyl-6-[2-(4-phenacylpiperazin-1-yl)ethyl]purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-6-[2-(4-phenacyl-1-piperazinyl)ethyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-6-[2-(4-phenacylpiperazin-1-yl)ethyl]purino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7-dimethyl-6-[2-(4-phenacylpiperazino)ethyl]purin[7,8-a]imidazole-1,3-quinone Formula: C23H27N7O3 MolecularWeight: 449.50558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CCN4CCN(CC4)CC(=O)C5=CC=CC=C5)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CCN4CCN(CC4)CC(=O)C5=CC=CC=C5)N(C(=O)NC3=O)C

InChI

InChI=1S/C23H27N7O3/c1-16-14-30-19-20(26(2)23(33)25-21(19)32)24-22(30)29(16)13-12-27-8-10-28(11-9-27)15-18(31)17-6-4-3-5-7-17/h3-7,14H,8-13,15H2,1-2H3,(H,25,32,33)