2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(3,4-dimethylphenyl)ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(3,4-dimethylphenyl)ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(3,4-dimethylphenyl)ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(3,4-dimethylphenyl)ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(3,4-dimethylphenyl)ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-(3,4-dimethylphenyl)ethanone Formula: C14H16N4OS MolecularWeight: 288.36804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NC(=CC(=N2)N)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NC(=CC(=N2)N)N)C

InChI

InChI=1S/C14H16N4OS/c1-8-3-4-10(5-9(8)2)11(19)7-20-14-17-12(15)6-13(16)18-14/h3-6H,7H2,1-2H3,(H4,15,16,17,18)