2-azanyl-5,7-dimethyl-pyrano[2,3-d]pyrimidin-1-ium-4-one perchlorate

Systemtic Name: 2-azanyl-5,7-dimethyl-pyrano[2,3-d]pyrimidin-1-ium-4-one perchlorate Openeye Name: 2-amino-5,7-dimethyl-pyrano[2,3-d]pyrimidin-1-ium-4-one perchlorate CAS Name: 2-amino-5,7-dimethyl-4-pyrano[2,3-d]pyrimidin-1-iumone perchlorate IUPAC Name: 2-amino-5,7-dimethylpyrano[2,3-d]pyrimidin-1-ium-4-one perchlorate Traditional Name: 2-amino-5,7-dimethyl-pyrano[2,3-d]pyrimidin-1-ium-4-one perchlorate Formula: C9H10ClN3O6 MolecularWeight: 291.6452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=[NH+]C(=NC2=O)N)O1)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=C2C(=[NH+]C(=NC2=O)N)O1)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C9H9N3O2.ClHO4/c1-4-3-5(2)14-8-6(4)7(13)11-9(10)12-8;2-1(3,4)5/h3H,1-2H3,(H2,10,11,13);(H,2,3,4,5)