6-azanyl-2-methylsulfanyl-5-(2-nitro-1-phenyl-ethyl)-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-methylsulfanyl-5-(2-nitro-1-phenyl-ethyl)-1H-pyrimidin-4-one Openeye Name: 6-amino-2-methylsulfanyl-5-(2-nitro-1-phenyl-ethyl)-1H-pyrimidin-4-one CAS Name: 6-amino-2-(methylthio)-5-(2-nitro-1-phenylethyl)-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-methylsulfanyl-5-(2-nitro-1-phenylethyl)-1H-pyrimidin-4-one Traditional Name: 6-amino-2-(methylthio)-5-(2-nitro-1-phenyl-ethyl)-1H-pyrimidin-4-one Formula: C13H14N4O3S MolecularWeight: 306.34026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C(=C(N1)N)C(C[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CSC1=NC(=O)C(=C(N1)N)C(C[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C13H14N4O3S/c1-21-13-15-11(14)10(12(18)16-13)9(7-17(19)20)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H3,14,15,16,18)