3-[[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-1H-quinoxalin-2-one

Systemtic Name: 3-[[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-1H-quinoxalin-2-one Openeye Name: 3-[[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-1H-quinoxalin-2-one CAS Name: 3-[[[4-(4-methoxyphenyl)-6-methyl-2-pyrimidinyl]thio]methyl]-1H-quinoxalin-2-one IUPAC Name: 3-[[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanylmethyl]-1H-quinoxalin-2-one Traditional Name: 3-[[[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]thio]methyl]-1H-quinoxalin-2-one Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=C(C=C2)OC)SCC3=NC4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=C(C=C2)OC)SCC3=NC4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H18N4O2S/c1-13-11-18(14-7-9-15(27-2)10-8-14)25-21(22-13)28-12-19-20(26)24-17-6-4-3-5-16(17)23-19/h3-11H,12H2,1-2H3,(H,24,26)