1,3-dimethyl-7H-purine-2,6-dione; pyridin-1-ium; tris(fluoranyl)stibane

Systemtic Name: 1,3-dimethyl-7H-purine-2,6-dione; pyridin-1-ium; tris(fluoranyl)stibane Openeye Name: 1,3-dimethyl-7H-purine-2,6-dione; pyridin-1-ium; trifluorostibane CAS Name: 1,3-dimethyl-7H-purine-2,6-dione; pyridin-1-ium; trifluorostibine IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione; pyridin-1-ium; trifluorostibane Traditional Name: pyridin-1-ium; theophylline; trifluorostibine Formula: C12H14F3N5O2Sb+ MolecularWeight: 439.02707

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC=N2.C1=CC=[NH+]C=C1.F[Sb](F)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC=N2.C1=CC=[NH+]C=C1.F[Sb](F)F

InChI

InChI=1S/C7H8N4O2.C5H5N.3FH.Sb/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-2-4-6-5-3-1;;;;/h3H,1-2H3,(H,8,9);1-5H;3*1H;/q;;;;;+3/p-2