1,3-dimethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-propan-2-yl-purine-2,6-dione Openeye Name: 7-isopropyl-1,3-dimethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-7-propan-2-ylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-1,3-dimethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]xanthine Formula: C16H28N6O2+2 MolecularWeight: 336.43252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC(C)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C16H26N6O2/c1-11(2)22-12(10-21-8-6-18(3)7-9-21)17-14-13(22)15(23)20(5)16(24)19(14)4/h11H,6-10H2,1-5H3/p+2