Purine-7-acetic acid, 8-bromo-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, quinine salt (2:1)

化合物标识与属性

CAS

120858-11-9

PubChem CID

177842432

SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(=O)[O-].CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(=O)[O-].COC1=CC2=C(C=C[NH+]=C2C=C1)[C@H]([C@@H]3C[C@@H]4CC[NH+]3C[C@@H]4C=C)O

Canonical SMILES

C=C[C@H]1C[NH+]2CC[C@H]1C[C@H]2[C@H](O)c1cc[nH+]c2ccc(OC)cc12.Cn1c(=O)c2c(nc(Br)n2CC(=O)[O-])n(C)c1=O.Cn1c(=O)c2c(nc(Br)n2CC(=O)[O-])n(C)c1=O