8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-purine-2,6-dione CAS Name: 8-(4-ethyl-1-piperazin-4-iumyl)-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(4-ethylpiperazin-4-ium-1-yl)-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-xanthine Formula: C19H25N6O2+ MolecularWeight: 369.4408

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C19H24N6O2/c1-3-23-9-11-24(12-10-23)18-20-16-15(17(26)21-19(27)22(16)2)25(18)13-14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3,(H,21,26,27)/p+1