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

Systemtic Name: 7-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-ethyl-1-piperazin-4-iumyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,3-dimethyl-xanthine Formula: C14H23N6O2+ MolecularWeight: 307.37142

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C14H22N6O2/c1-4-18-5-7-19(8-6-18)10-20-9-15-12-11(20)13(21)17(3)14(22)16(12)2/h9H,4-8,10H2,1-3H3/p+1