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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)SC2=NC(=CC(=N2)N)N)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C(C)SC2=NC(=CC(=N2)N)N)C)C

InChI

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