4,6-dimethyl-2-[(4-nitrophenyl)methoxysulfanyl]pyrimidine

Systemtic Name: 4,6-dimethyl-2-[(4-nitrophenyl)methoxysulfanyl]pyrimidine Openeye Name: 4,6-dimethyl-2-[(4-nitrophenyl)methoxysulfanyl]pyrimidine CAS Name: 4,6-dimethyl-2-pyrimidinesulfenic acid (4-nitrophenyl)methyl ester IUPAC Name: 4,6-dimethyl-2-[(4-nitrophenyl)methoxysulfanyl]pyrimidine Traditional Name: 4,6-dimethyl-2-[(4-nitrobenzyl)oxythio]pyrimidine Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SOCC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SOCC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H13N3O3S/c1-9-7-10(2)15-13(14-9)20-19-8-11-3-5-12(6-4-11)16(17)18/h3-7H,8H2,1-2H3