3-methyl-8-[(4-phenylpiperazin-1-ium-1-yl)methyl]-7H-purine-2,6-dione

Systemtic Name: 3-methyl-8-[(4-phenylpiperazin-1-ium-1-yl)methyl]-7H-purine-2,6-dione Openeye Name: 3-methyl-8-[(4-phenylpiperazin-1-ium-1-yl)methyl]-7H-purine-2,6-dione CAS Name: 3-methyl-8-[(4-phenyl-1-piperazin-1-iumyl)methyl]-7H-purine-2,6-dione IUPAC Name: 3-methyl-8-[(4-phenylpiperazin-1-ium-1-yl)methyl]-7H-purine-2,6-dione Traditional Name: 3-methyl-8-[(4-phenylpiperazin-1-ium-1-yl)methyl]-7H-purine-2,6-quinone Formula: C17H21N6O2+ MolecularWeight: 341.38764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)NC(=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)NC(=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C17H20N6O2/c1-21-15-14(16(24)20-17(21)25)18-13(19-15)11-22-7-9-23(10-8-22)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,18,19)(H,20,24,25)/p+1