2-butan-2-ylsulfanyl-6-[(4-nitrophenyl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-butan-2-ylsulfanyl-6-[(4-nitrophenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 6-[(4-nitrophenyl)methyl]-2-sec-butylsulfanyl-1H-pyrimidin-4-one CAS Name: 2-(butan-2-ylthio)-6-[(4-nitrophenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-butan-2-ylsulfanyl-6-[(4-nitrophenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 6-(4-nitrobenzyl)-2-(sec-butylthio)-1H-pyrimidin-4-one Formula: C15H17N3O3S MolecularWeight: 319.37878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C=C(N1)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)SC1=NC(=O)C=C(N1)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O3S/c1-3-10(2)22-15-16-12(9-14(19)17-15)8-11-4-6-13(7-5-11)18(20)21/h4-7,9-10H,3,8H2,1-2H3,(H,16,17,19)