2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(4-chlorophenyl)ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(4-chlorophenyl)ethanone Openeye Name: 1-(4-chlorophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(4-chlorophenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(4-chlorophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(4-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]ethanone Formula: C12H11ClN4OS MolecularWeight: 294.75994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=NC(=CC(=N2)N)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=NC(=CC(=N2)N)N)Cl

InChI

InChI=1S/C12H11ClN4OS/c13-8-3-1-7(2-4-8)9(18)6-19-12-16-10(14)5-11(15)17-12/h1-5H,6H2,(H4,14,15,16,17)