2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(2,5-diethylphenyl)ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(2,5-diethylphenyl)ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2,5-diethylphenyl)ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(2,5-diethylphenyl)ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2,5-diethylphenyl)ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-(2,5-diethylphenyl)ethanone Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C16H20N4OS/c1-3-10-5-6-11(4-2)12(7-10)13(21)9-22-16-19-14(17)8-15(18)20-16/h5-8H,3-4,9H2,1-2H3,(H4,17,18,19,20)