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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(2,4,5-trimethylphenyl)ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(2,4,5-trimethylphenyl)ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-(2,4,5-trimethylphenyl)ethanone Formula: C15H18N4OS MolecularWeight: 302.39462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)CSC2=NC(=CC(=N2)N)N)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)CSC2=NC(=CC(=N2)N)N)C)C

InChI

InChI=1S/C15H18N4OS/c1-8-4-10(3)11(5-9(8)2)12(20)7-21-15-18-13(16)6-14(17)19-15/h4-6H,7H2,1-3H3,(H4,16,17,18,19)