2-[4-methyl-2-methylsulfanyl-6-[(triphenyl-$l^{5}-phosphanylidene)amino]pyrimidin-5-yl]ethyl ethanoate

Systemtic Name: 2-[4-methyl-2-methylsulfanyl-6-[(triphenyl-$l^{5}-phosphanylidene)amino]pyrimidin-5-yl]ethyl ethanoate Openeye Name: 2-[4-methyl-2-methylsulfanyl-6-[(triphenyl-$l^{5}-phosphanylidene)amino]pyrimidin-5-yl]ethyl acetate CAS Name: acetic acid 2-[4-methyl-2-(methylthio)-6-(triphenylphosphoranylideneamino)-5-pyrimidinyl]ethyl ester IUPAC Name: 2-[4-methyl-2-methylsulfanyl-6-[(triphenyl-$l^{5}-phosphanylidene)amino]pyrimidin-5-yl]ethyl acetate Traditional Name: acetic acid 2-[4-methyl-2-(methylthio)-6-(triphenylphosphoranylideneamino)pyrimidin-5-yl]ethyl ester Formula: C28H28N3O2PS MolecularWeight: 501.579581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CCOC(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CCOC(=O)C

InChI

InChI=1S/C28H28N3O2PS/c1-21-26(19-20-33-22(2)32)27(30-28(29-21)35-3)31-34(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18H,19-20H2,1-3H3