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

Systemtic Name: 2-butylsulfanyl-5-[(2-methyl-5-nitro-phenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-butylsulfanyl-4-hydroxy-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-(butylthio)-4-hydroxy-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-butylsulfanyl-4-hydroxy-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-(butylthio)-4-hydroxy-5-(2-methyl-5-nitro-benzyl)-1H-pyrimidin-6-one Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=C(C(=O)N1)CC2=C(C=CC(=C2)[N+](=O)[O-])C)O

Isomeric SMILES

CCCCSC1=NC(=C(C(=O)N1)CC2=C(C=CC(=C2)[N+](=O)[O-])C)O

InChI

InChI=1S/C16H19N3O4S/c1-3-4-7-24-16-17-14(20)13(15(21)18-16)9-11-8-12(19(22)23)6-5-10(11)2/h5-6,8H,3-4,7,9H2,1-2H3,(H2,17,18,20,21)