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

Systemtic Name: 8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-7-phenacyl-purine-2,6-dione Openeye Name: 8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-7-phenacyl-purine-2,6-dione CAS Name: 8-(4-ethyl-1-piperazin-4-iumyl)-3-methyl-7-phenacylpurine-2,6-dione IUPAC Name: 8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-7-phenacylpurine-2,6-dione Traditional Name: 8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-7-phenacyl-xanthine Formula: C20H25N6O3+ MolecularWeight: 397.4509

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C20H24N6O3/c1-3-24-9-11-25(12-10-24)19-21-17-16(18(28)22-20(29)23(17)2)26(19)13-15(27)14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3,(H,22,28,29)/p+1