1-[(2R)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-2-oxidanyl-propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[(2R)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-2-oxidanyl-propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(2R)-2-hydroxy-3-[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[(2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propyl]-3,7-dimethyl-xanthine Formula: C16H28N6O4+2 MolecularWeight: 368.43132

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(C[NH+]3CC[NH+](CC3)CCO)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)C[C@H](C[NH+]3CC[NH+](CC3)CCO)O

InChI

InChI=1S/C16H26N6O4/c1-18-11-17-14-13(18)15(25)22(16(26)19(14)2)10-12(24)9-21-5-3-20(4-6-21)7-8-23/h11-12,23-24H,3-10H2,1-2H3/p+2/t12-/m0/s1