8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-1,3-dimethyl-7-phenethyl-purine-2,6-dione

Systemtic Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-1,3-dimethyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-1,3-dimethyl-7-phenethyl-purine-2,6-dione CAS Name: 8-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-1,3-dimethyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-1,3-dimethyl-7-phenethylpurine-2,6-dione Traditional Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-1,3-dimethyl-7-phenethyl-xanthine Formula: C22H32N6O2+2 MolecularWeight: 412.52848

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H30N6O2/c1-4-26-12-14-27(15-13-26)16-18-23-20-19(21(29)25(3)22(30)24(20)2)28(18)11-10-17-8-6-5-7-9-17/h5-9H,4,10-16H2,1-3H3/p+2