7-azanyl-1,3-dimethyl-8-propyl-purine-2,6-dione; 2-iodanylethanamide

Systemtic Name: 7-azanyl-1,3-dimethyl-8-propyl-purine-2,6-dione; 2-iodanylethanamide Openeye Name: 7-amino-1,3-dimethyl-8-propyl-purine-2,6-dione; 2-iodoacetamide CAS Name: 7-amino-1,3-dimethyl-8-propylpurine-2,6-dione; 2-iodoacetamide IUPAC Name: 7-amino-1,3-dimethyl-8-propylpurine-2,6-dione; 2-iodoacetamide Traditional Name: 7-amino-1,3-dimethyl-8-propyl-xanthine; 2-iodoacetamide Formula: C12H19IN6O3 MolecularWeight: 422.22213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1N)C(=O)N(C(=O)N2C)C.C(C(=O)N)I

Isomeric SMILES

CCCC1=NC2=C(N1N)C(=O)N(C(=O)N2C)C.C(C(=O)N)I

InChI

InChI=1S/C10H15N5O2.C2H4INO/c1-4-5-6-12-8-7(15(6)11)9(16)14(3)10(17)13(8)2;3-1-2(4)5/h4-5,11H2,1-3H3;1H2,(H2,4,5)