2-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanyl-1-phenyl-ethanone Openeye Name: 2-(4-amino-6-chloro-pyrimidin-2-yl)sulfanyl-1-phenyl-ethanone CAS Name: 2-[(4-amino-6-chloro-2-pyrimidinyl)thio]-1-phenylethanone IUPAC Name: 2-(4-amino-6-chloropyrimidin-2-yl)sulfanyl-1-phenylethanone Traditional Name: 2-[(4-amino-6-chloro-pyrimidin-2-yl)thio]-1-phenyl-ethanone Formula: C12H10ClN3OS MolecularWeight: 279.7453

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClN3OS/c13-10-6-11(14)16-12(15-10)18-7-9(17)8-4-2-1-3-5-8/h1-6H,7H2,(H2,14,15,16)