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

Systemtic Name: N-[6-azanyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-bromanyl-benzamide Openeye Name: N-[6-amino-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-bromo-benzamide CAS Name: N-[6-amino-2-[(4-nitrophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-4-bromobenzamide IUPAC Name: N-[6-amino-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-bromobenzamide Traditional Name: N-[6-amino-4-keto-2-[(4-nitrobenzyl)thio]-1H-pyrimidin-5-yl]-4-bromo-benzamide Formula: C18H14BrN5O4S MolecularWeight: 476.30386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H14BrN5O4S/c19-12-5-3-11(4-6-12)16(25)21-14-15(20)22-18(23-17(14)26)29-9-10-1-7-13(8-2-10)24(27)28/h1-8H,9H2,(H,21,25)(H3,20,22,23,26)