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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-bromanyl-benzamide Openeye Name: N-(6-amino-2-benzylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-bromo-benzamide CAS Name: N-[6-amino-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-4-bromobenzamide IUPAC Name: N-(6-amino-2-benzylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-bromobenzamide Traditional Name: N-[6-amino-2-(benzylthio)-4-keto-1H-pyrimidin-5-yl]-4-bromo-benzamide Formula: C18H15BrN4O2S MolecularWeight: 431.3063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H15BrN4O2S/c19-13-8-6-12(7-9-13)16(24)21-14-15(20)22-18(23-17(14)25)26-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,21,24)(H3,20,22,23,25)