2-[4,5-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[4,5-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-(4,5-diaminopyrimidin-2-yl)sulfanyl-1-phenyl-ethanone CAS Name: 2-[(4,5-diamino-2-pyrimidinyl)thio]-1-phenylethanone IUPAC Name: 2-(4,5-diaminopyrimidin-2-yl)sulfanyl-1-phenylethanone Traditional Name: 2-[(4,5-diaminopyrimidin-2-yl)thio]-1-phenyl-ethanone Formula: C12H12N4OS MolecularWeight: 260.31488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4OS/c13-9-6-15-12(16-11(9)14)18-7-10(17)8-4-2-1-3-5-8/h1-6H,7,13H2,(H2,14,15,16)