1,3-dimethyl-8-[4-(phenylcarbonyl)piperazin-1-yl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[4-(phenylcarbonyl)piperazin-1-yl]-7H-purine-2,6-dione Openeye Name: 8-(4-benzoylpiperazin-1-yl)-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-(4-benzoyl-1-piperazinyl)-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-(4-benzoylpiperazin-1-yl)-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-(4-benzoylpiperazino)-1,3-dimethyl-7H-purine-2,6-quinone Formula: C18H20N6O3 MolecularWeight: 368.3898

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H20N6O3/c1-21-14-13(16(26)22(2)18(21)27)19-17(20-14)24-10-8-23(9-11-24)15(25)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,19,20)