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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(4-tert-butylphenyl)propan-1-one Openeye Name: 1-(4-tert-butylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-propan-1-one CAS Name: 1-(4-tert-butylphenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]-1-propanone IUPAC Name: 1-(4-tert-butylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropan-1-one Traditional Name: 1-(4-tert-butylphenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]propan-1-one Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C17H22N4OS/c1-10(23-16-20-13(18)9-14(19)21-16)15(22)11-5-7-12(8-6-11)17(2,3)4/h5-10H,1-4H3,(H4,18,19,20,21)