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

Systemtic Name: (2S)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(4-methylphenyl)propan-1-one Openeye Name: (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(p-tolyl)propan-1-one CAS Name: (2S)-2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(4-methylphenyl)-1-propanone IUPAC Name: (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(4-methylphenyl)propan-1-one Traditional Name: (2S)-2-[(4,6-diaminopyrimidin-2-yl)thio]-1-(p-tolyl)propan-1-one Formula: C14H16N4OS MolecularWeight: 288.36804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)SC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C14H16N4OS/c1-8-3-5-10(6-4-8)13(19)9(2)20-14-17-11(15)7-12(16)18-14/h3-7,9H,1-2H3,(H4,15,16,17,18)/t9-/m0/s1