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

Systemtic Name: N-[6-azanyl-2-[(2-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-bromanyl-benzamide Openeye Name: N-[6-amino-2-[(2-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-bromo-benzamide CAS Name: N-[6-amino-2-[(2-chlorophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-4-bromobenzamide IUPAC Name: N-[6-amino-2-[(2-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-bromobenzamide Traditional Name: N-[6-amino-2-[(2-chlorobenzyl)thio]-4-keto-1H-pyrimidin-5-yl]-4-bromo-benzamide Formula: C18H14BrClN4O2S MolecularWeight: 465.75136

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrClN4O2S/c19-12-7-5-10(6-8-12)16(25)22-14-15(21)23-18(24-17(14)26)27-9-11-3-1-2-4-13(11)20/h1-8H,9H2,(H,22,25)(H3,21,23,24,26)