N-[6-azanyl-2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-bromanyl-benzamide

Systemtic Name: N-[6-azanyl-2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-bromanyl-benzamide Openeye Name: N-[6-amino-2-(m-tolylmethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-bromo-benzamide CAS Name: N-[6-amino-2-[(3-methylphenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-4-bromobenzamide IUPAC Name: N-[6-amino-2-[(3-methylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-bromobenzamide Traditional Name: N-[6-amino-4-keto-2-[(3-methylbenzyl)thio]-1H-pyrimidin-5-yl]-4-bromo-benzamide Formula: C19H17BrN4O2S MolecularWeight: 445.33288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN4O2S/c1-11-3-2-4-12(9-11)10-27-19-23-16(21)15(18(26)24-19)22-17(25)13-5-7-14(20)8-6-13/h2-9H,10H2,1H3,(H,22,25)(H3,21,23,24,26)