2-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(4-bromophenyl)ethanamide

Systemtic Name: 2-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(4-bromophenyl)ethanamide Openeye Name: 2-[6-amino-1-(m-tolyl)-4-oxo-pyrimidin-2-yl]sulfanyl-N-(4-bromophenyl)acetamide CAS Name: 2-[[6-amino-1-(3-methylphenyl)-4-oxo-2-pyrimidinyl]thio]-N-(4-bromophenyl)acetamide IUPAC Name: 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-bromophenyl)acetamide Traditional Name: 2-[[6-amino-4-keto-1-(m-tolyl)pyrimidin-2-yl]thio]-N-(4-bromophenyl)acetamide Formula: C19H17BrN4O2S MolecularWeight: 445.33288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=CC=C(C=C3)Br)N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=CC=C(C=C3)Br)N

InChI

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