(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-triphenyl-phosphanium

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-triphenyl-phosphanium Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-triphenyl-phosphonium CAS Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-triphenylphosphonium IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-triphenylphosphanium Traditional Name: (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-triphenyl-phosphonium Formula: C27H24N2OPS+ MolecularWeight: 455.531021

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C27H23N2OPS/c1-19-20(2)32-27-25(19)26(30)28-24(29-27)18-31(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17H,18H2,1-2H3/p+1