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

Systemtic Name: N-[6-azanyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-bromanyl-benzamide Openeye Name: N-[6-amino-2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-bromo-benzamide CAS Name: N-[6-amino-2-[(2,5-dimethylphenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-4-bromobenzamide IUPAC Name: N-[6-amino-2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-bromobenzamide Traditional Name: N-[6-amino-2-[(2,5-dimethylbenzyl)thio]-4-keto-1H-pyrimidin-5-yl]-4-bromo-benzamide Formula: C20H19BrN4O2S MolecularWeight: 459.35946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H19BrN4O2S/c1-11-3-4-12(2)14(9-11)10-28-20-24-17(22)16(19(27)25-20)23-18(26)13-5-7-15(21)8-6-13/h3-9H,10H2,1-2H3,(H,23,26)(H3,22,24,25,27)