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

Systemtic Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-1,3-dimethyl-7-[(2R)-3-oxidanylidenebutan-2-yl]purine-2,6-dione Openeye Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-1,3-dimethyl-7-[(1R)-1-methyl-2-oxo-propyl]purine-2,6-dione CAS Name: 8-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-1,3-dimethyl-7-[(2R)-3-oxobutan-2-yl]purine-2,6-dione IUPAC Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-1,3-dimethyl-7-[(2R)-3-oxobutan-2-yl]purine-2,6-dione Traditional Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-[(1R)-2-keto-1-methyl-propyl]-1,3-dimethyl-xanthine Formula: C18H30N6O3+2 MolecularWeight: 378.4692

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=NC3=C(N2C(C)C(=O)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=NC3=C(N2[C@H](C)C(=O)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H28N6O3/c1-6-22-7-9-23(10-8-22)11-14-19-16-15(24(14)12(2)13(3)25)17(26)21(5)18(27)20(16)4/h12H,6-11H2,1-5H3/p+2/t12-/m1/s1