N-[6-azanyl-2-[(4-bromophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-bromanyl-benzamide

Systemtic Name: N-[6-azanyl-2-[(4-bromophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-bromanyl-benzamide Openeye Name: N-[6-amino-2-[(4-bromophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-bromo-benzamide CAS Name: N-[6-amino-2-[(4-bromophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-4-bromobenzamide IUPAC Name: N-[6-amino-2-[(4-bromophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-bromobenzamide Traditional Name: N-[6-amino-2-[(4-bromobenzyl)thio]-4-keto-1H-pyrimidin-5-yl]-4-bromo-benzamide Formula: C18H14Br2N4O2S MolecularWeight: 510.20236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)Br)Br

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)Br)Br

InChI

InChI=1S/C18H14Br2N4O2S/c19-12-5-1-10(2-6-12)9-27-18-23-15(21)14(17(26)24-18)22-16(25)11-3-7-13(20)8-4-11/h1-8H,9H2,(H,22,25)(H3,21,23,24,26)