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

Systemtic Name: 5-methyl-7-phenyl-2-sulfanylidene-pyrano[2,3-d]pyrimidin-1-ium-4-one perchlorate Openeye Name: 5-methyl-7-phenyl-2-thioxo-pyrano[2,3-d]pyrimidin-1-ium-4-one perchlorate CAS Name: 5-methyl-7-phenyl-2-sulfanylidene-4-pyrano[2,3-d]pyrimidin-1-iumone perchlorate IUPAC Name: 5-methyl-7-phenyl-2-sulfanylidenepyrano[2,3-d]pyrimidin-1-ium-4-one perchlorate Traditional Name: 5-methyl-7-phenyl-2-thioxo-pyrano[2,3-d]pyrimidin-1-ium-4-one perchlorate Formula: C14H11ClN2O6S MolecularWeight: 370.76494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=O)NC(=S)[NH+]=C2OC(=C1)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=C2C(=O)NC(=S)[NH+]=C2OC(=C1)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H10N2O2S.ClHO4/c1-8-7-10(9-5-3-2-4-6-9)18-13-11(8)12(17)15-14(19)16-13;2-1(3,4)5/h2-7H,1H3,(H,15,17,19);(H,2,3,4,5)