6-methyl-2-methylsulfanyl-5-[2-[(4-nitrophenyl)methoxy]ethyl]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-methylsulfanyl-5-[2-[(4-nitrophenyl)methoxy]ethyl]-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-methylsulfanyl-5-[2-[(4-nitrophenyl)methoxy]ethyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-2-(methylthio)-5-[2-[(4-nitrophenyl)methoxy]ethyl]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-methylsulfanyl-5-[2-[(4-nitrophenyl)methoxy]ethyl]-1H-pyrimidin-4-one Traditional Name: 6-methyl-2-(methylthio)-5-[2-(4-nitrobenzyl)oxyethyl]-1H-pyrimidin-4-one Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC)CCOCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC)CCOCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O4S/c1-10-13(14(19)17-15(16-10)23-2)7-8-22-9-11-3-5-12(6-4-11)18(20)21/h3-6H,7-9H2,1-2H3,(H,16,17,19)