4-[(2S)-2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylpropanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[(2S)-2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylpropanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[(2S)-2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanylpropanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one CAS Name: 4-[(2S)-2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-1-oxopropyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanylpropanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[(2S)-2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one Formula: C17H16F3N5O2S MolecularWeight: 411.40145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(C)C(=O)N2CC(=O)NC3=C2C=CC(=C3)C(F)(F)F)N

Isomeric SMILES

CC1=CC(=NC(=N1)S[C@@H](C)C(=O)N2CC(=O)NC3=C2C=CC(=C3)C(F)(F)F)N

InChI

InChI=1S/C17H16F3N5O2S/c1-8-5-13(21)24-16(22-8)28-9(2)15(27)25-7-14(26)23-11-6-10(17(18,19)20)3-4-12(11)25/h3-6,9H,7H2,1-2H3,(H,23,26)(H2,21,22,24)/t9-/m0/s1