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

Systemtic Name: 1,3-dimethyl-8-[4-(phenylmethyl)piperazin-4-ium-1-yl]-7H-purine-2,6-dione Openeye Name: 8-(4-benzylpiperazin-4-ium-1-yl)-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[4-(phenylmethyl)-1-piperazin-4-iumyl]-7H-purine-2,6-dione IUPAC Name: 8-(4-benzylpiperazin-4-ium-1-yl)-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-(4-benzylpiperazin-4-ium-1-yl)-1,3-dimethyl-7H-purine-2,6-quinone Formula: C18H23N6O2+ MolecularWeight: 355.41422

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C18H22N6O2/c1-21-15-14(16(25)22(2)18(21)26)19-17(20-15)24-10-8-23(9-11-24)12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,19,20)/p+1