6-azanyl-2-[2-nitro-4-(phenylcarbonyl)phenyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[2-nitro-4-(phenylcarbonyl)phenyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-amino-2-(4-benzoyl-2-nitro-phenyl)sulfanyl-1H-pyrimidin-4-one CAS Name: 6-amino-2-[(4-benzoyl-2-nitrophenyl)thio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-(4-benzoyl-2-nitrophenyl)sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[(4-benzoyl-2-nitro-phenyl)thio]-1H-pyrimidin-4-one Formula: C17H12N4O4S MolecularWeight: 368.36658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)SC3=NC(=O)C=C(N3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)SC3=NC(=O)C=C(N3)N)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O4S/c18-14-9-15(22)20-17(19-14)26-13-7-6-11(8-12(13)21(24)25)16(23)10-4-2-1-3-5-10/h1-9H,(H3,18,19,20,22)