2-tert-butyl-4-sulfanyl-5-(triphenyl-$l^{4}-phosphanyl)-1H-pyrimidin-6-one

Systemtic Name: 2-tert-butyl-4-sulfanyl-5-(triphenyl-$l^{4}-phosphanyl)-1H-pyrimidin-6-one Openeye Name: 2-tert-butyl-4-sulfanyl-5-(triphenyl-$l^{4}-phosphanyl)-1H-pyrimidin-6-one CAS Name: 2-tert-butyl-4-mercapto-5-(triphenyl-$l^{4}-phosphinyl)-1H-pyrimidin-6-one IUPAC Name: 2-tert-butyl-4-sulfanyl-5-(triphenyl-$l^{4}-phosphanyl)-1H-pyrimidin-6-one Traditional Name: 2-tert-butyl-4-mercapto-5-(triphenyl-$l^{4}-phosphinyl)-1H-pyrimidin-6-one Formula: C26H26N2OPS MolecularWeight: 445.536201

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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

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

InChI

InChI=1S/C26H26N2OPS/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/h4-18H,1-3H3,(H2,27,28,29,31)