1,3-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)-7-[(2R)-3-oxidanylidenebutan-2-yl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)-7-[(2R)-3-oxidanylidenebutan-2-yl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(1R)-1-methyl-2-oxo-propyl]-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-methyl-1-piperazin-4-iumyl)-7-[(2R)-3-oxobutan-2-yl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)-7-[(2R)-3-oxobutan-2-yl]purine-2,6-dione Traditional Name: 7-[(1R)-2-keto-1-methyl-propyl]-1,3-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)xanthine Formula: C16H25N6O3+ MolecularWeight: 349.4081

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)N1C2=C(N=C1N3CC[NH+](CC3)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

C[C@H](C(=O)C)N1C2=C(N=C1N3CC[NH+](CC3)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H24N6O3/c1-10(11(2)23)22-12-13(19(4)16(25)20(5)14(12)24)17-15(22)21-8-6-18(3)7-9-21/h10H,6-9H2,1-5H3/p+1/t10-/m1/s1