(2-tert-butyl-6-oxidanylidene-4-sulfanyl-1H-pyrimidin-5-yl)-triphenyl-phosphanium perchlorate

Systemtic Name: (2-tert-butyl-6-oxidanylidene-4-sulfanyl-1H-pyrimidin-5-yl)-triphenyl-phosphanium perchlorate Openeye Name: (2-tert-butyl-6-oxo-4-sulfanyl-1H-pyrimidin-5-yl)-triphenyl-phosphonium perchlorate CAS Name: (2-tert-butyl-4-mercapto-6-oxo-1H-pyrimidin-5-yl)-triphenylphosphonium perchlorate IUPAC Name: (2-tert-butyl-6-oxo-4-sulfanyl-1H-pyrimidin-5-yl)-triphenylphosphanium perchlorate Traditional Name: (2-tert-butyl-6-keto-4-mercapto-1H-pyrimidin-5-yl)-triphenyl-phosphonium perchlorate Formula: C26H26ClN2O5PS MolecularWeight: 544.986801

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=C(C(=O)N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)S.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)(C)C1=NC(=C(C(=O)N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)S.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C26H25N2OPS.ClHO4/c1-26(2,3)25-27-23(29)22(24(31)28-25)30(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21;2-1(3,4)5/h4-18H,1-3H3,(H-,27,28,29,31);(H,2,3,4,5)