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

Systemtic Name: 4-[(2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[(2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[(2S)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxopropyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[(2S)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[(2S)-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]propanoyl]-1,3-dihydroquinoxalin-2-one Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SC(C)C(=O)N3CC(=O)NC4=CC=CC=C43

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)N3CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C22H20N4O2S/c1-14-12-18(16-8-4-3-5-9-16)25-22(23-14)29-15(2)21(28)26-13-20(27)24-17-10-6-7-11-19(17)26/h3-12,15H,13H2,1-2H3,(H,24,27)/t15-/m0/s1