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

Systemtic Name: 2-azanyl-5-methyl-7-phenyl-pyrano[2,3-d]pyrimidin-1-ium-4-one perchlorate Openeye Name: 2-amino-5-methyl-7-phenyl-pyrano[2,3-d]pyrimidin-1-ium-4-one perchlorate CAS Name: 2-amino-5-methyl-7-phenyl-4-pyrano[2,3-d]pyrimidin-1-iumone perchlorate IUPAC Name: 2-amino-5-methyl-7-phenylpyrano[2,3-d]pyrimidin-1-ium-4-one perchlorate Traditional Name: 2-amino-5-methyl-7-phenyl-pyrano[2,3-d]pyrimidin-1-ium-4-one perchlorate Formula: C14H12ClN3O6 MolecularWeight: 353.71458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=[NH+]C(=NC2=O)N)OC(=C1)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=C2C(=[NH+]C(=NC2=O)N)OC(=C1)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H11N3O2.ClHO4/c1-8-7-10(9-5-3-2-4-6-9)19-13-11(8)12(18)16-14(15)17-13;2-1(3,4)5/h2-7H,1H3,(H2,15,16,18);(H,2,3,4,5)