6-azanyl-1-(4-chlorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]pyrimidin-4-one

Systemtic Name: 6-azanyl-1-(4-chlorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]pyrimidin-4-one Openeye Name: 6-amino-1-(4-chlorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]pyrimidin-4-one CAS Name: 6-amino-1-(4-chlorophenyl)-2-[(4-nitrophenyl)methylthio]-4-pyrimidinone IUPAC Name: 6-amino-1-(4-chlorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]pyrimidin-4-one Traditional Name: 6-amino-1-(4-chlorophenyl)-2-[(4-nitrobenzyl)thio]pyrimidin-4-one Formula: C17H13ClN4O3S MolecularWeight: 388.82812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)C=C(N2C3=CC=C(C=C3)Cl)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C=C(N2C3=CC=C(C=C3)Cl)N)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN4O3S/c18-12-3-7-13(8-4-12)21-15(19)9-16(23)20-17(21)26-10-11-1-5-14(6-2-11)22(24)25/h1-9H,10,19H2