Thiazolo(3,2-a)pyrimidin-4-ium, 3-methoxy-7-methyl-2-phenyl-, perchlorate

HCID 3045352

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Basic information

CAS: 91915-78-5
Standard SMILES: COc1c(-c2ccccc2)sc2nc(C)cc[n+]12.[O-][Cl+3]([O-])([O-])[O-]
InChIKey: VXOLTUAXFJINQN-UHFFFAOYSA-M
Molecular formula: C14H13ClN2O5S
Average molar mass: 356.8 g/mol
Monoisotopic mass: 356.0233704

Names & identifiers

Preferred name: Thiazolo(3,2-a)pyrimidin-4-ium, 3-methoxy-7-methyl-2-phenyl-, perchlorate
IUPAC: 3-methoxy-7-methyl-2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium perchlorate

Names & synonyms

Thiazolo(3,2-a)pyrimidin-4-ium, 3-methoxy-7-methyl-2-phenyl-, perchlorate91915-78-53-Methoxy-7-methyl-2-phenylthiazolo(3,2-a)pyrimidin-4-ium perchlorateDTXSID60238761RefChem:384835DTXCID101612523-methoxy-7-methyl-2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium;perchlorateAKOS030695210SR-01000025853SR-01000025853-1Z567638553-Methoxy-7-methyl-2-phenyl[1,3]thiazolo[3,2-a]pyrimidin-4-ium perchlorate

Database identifiers

CAS: 91915-78-5
PubChem CID: 3045352
DTXSID: DTXSID60238761

Properties

Computed structural properties

Topological polar surface area: 129 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 23
Formal charge: 0
Complexity: 379

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