2-[6-azanyl-1-(4-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[6-azanyl-1-(4-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[6-amino-1-(4-chlorophenyl)-4-oxo-pyrimidin-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[[6-amino-1-(4-chlorophenyl)-4-oxo-2-pyrimidinyl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[6-amino-1-(4-chlorophenyl)-4-keto-pyrimidin-2-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C18H14ClN5O4S MolecularWeight: 431.85286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC2=NC(=O)C=C(N2C3=CC=C(C=C3)Cl)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC2=NC(=O)C=C(N2C3=CC=C(C=C3)Cl)N)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN5O4S/c19-11-1-5-13(6-2-11)23-15(20)9-16(25)22-18(23)29-10-17(26)21-12-3-7-14(8-4-12)24(27)28/h1-9H,10,20H2,(H,21,26)