1,3-dimethyl-8-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-7H-purine-2,6-dione Openeye Name: 8-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-7H-purine-2,6-dione IUPAC Name: 8-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C19H26N6O2+2 MolecularWeight: 370.44874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C19H24N6O2/c1-22-17-16(18(26)23(2)19(22)27)20-15(21-17)13-25-10-8-24(9-11-25)12-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,20,21)/p+2