1-[2-[(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanylmethyl]pyridin-3-yl]ethanone

Systemtic Name: 1-[2-[(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanylmethyl]pyridin-3-yl]ethanone Openeye Name: 1-[2-[(4-amino-6-chloro-pyrimidin-2-yl)sulfanylmethyl]-3-pyridyl]ethanone CAS Name: 1-[2-[[(4-amino-6-chloro-2-pyrimidinyl)thio]methyl]-3-pyridinyl]ethanone IUPAC Name: 1-[2-[(4-amino-6-chloropyrimidin-2-yl)sulfanylmethyl]pyridin-3-yl]ethanone Traditional Name: 1-[2-[[(4-amino-6-chloro-pyrimidin-2-yl)thio]methyl]-3-pyridyl]ethanone Formula: C12H11ClN4OS MolecularWeight: 294.75994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN4OS/c1-7(18)8-3-2-4-15-9(8)6-19-12-16-10(13)5-11(14)17-12/h2-5H,6H2,1H3,(H2,14,16,17)