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

Systemtic Name: 7-(2-ethoxyethyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 7-(2-ethoxyethyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-3-methyl-purine-2,6-dione CAS Name: 7-(2-ethoxyethyl)-8-[(4-ethyl-1-piperazin-4-iumyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 7-(2-ethoxyethyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-3-methylpurine-2,6-dione Traditional Name: 7-(2-ethoxyethyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-3-methyl-xanthine Formula: C17H29N6O3+ MolecularWeight: 365.45056

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=NC3=C(N2CCOCC)C(=O)NC(=O)N3C

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=NC3=C(N2CCOCC)C(=O)NC(=O)N3C

InChI

InChI=1S/C17H28N6O3/c1-4-21-6-8-22(9-7-21)12-13-18-15-14(23(13)10-11-26-5-2)16(24)19-17(25)20(15)3/h4-12H2,1-3H3,(H,19,24,25)/p+1