2-ethylsulfanyl-5-[(2-methyl-5-nitro-phenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-ethylsulfanyl-5-[(2-methyl-5-nitro-phenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-ethylsulfanyl-4-hydroxy-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-(ethylthio)-4-hydroxy-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-ethylsulfanyl-4-hydroxy-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-(ethylthio)-4-hydroxy-5-(2-methyl-5-nitro-benzyl)-1H-pyrimidin-6-one Formula: C14H15N3O4S MolecularWeight: 321.3516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=C(C(=O)N1)CC2=C(C=CC(=C2)[N+](=O)[O-])C)O

Isomeric SMILES

CCSC1=NC(=C(C(=O)N1)CC2=C(C=CC(=C2)[N+](=O)[O-])C)O

InChI

InChI=1S/C14H15N3O4S/c1-3-22-14-15-12(18)11(13(19)16-14)7-9-6-10(17(20)21)5-4-8(9)2/h4-6H,3,7H2,1-2H3,(H2,15,16,18,19)