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

Systemtic Name: (2S)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(4-ethylphenyl)propan-1-one Openeye Name: (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(4-ethylphenyl)propan-1-one CAS Name: (2S)-2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(4-ethylphenyl)-1-propanone IUPAC Name: (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(4-ethylphenyl)propan-1-one Traditional Name: (2S)-2-[(4,6-diaminopyrimidin-2-yl)thio]-1-(4-ethylphenyl)propan-1-one Formula: C15H18N4OS MolecularWeight: 302.39462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NC(=CC(=N2)N)N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C15H18N4OS/c1-3-10-4-6-11(7-5-10)14(20)9(2)21-15-18-12(16)8-13(17)19-15/h4-9H,3H2,1-2H3,(H4,16,17,18,19)/t9-/m0/s1