(6E)-6-[4-[methyl-(3-methylsulfonylphenyl)amino]-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[4-[methyl-(3-methylsulfonylphenyl)amino]-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[4-(N-methyl-3-methylsulfonyl-anilino)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[4-(N-methyl-3-methylsulfonylanilino)-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[4-(N-methyl-3-methylsulfonylanilino)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[4-(3-mesyl-N-methyl-anilino)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=CC=C1)S(=O)(=O)C)C2=CC(=C3C=CC=CC3=O)NC=N2

Isomeric SMILES

CN(C1=CC(=CC=C1)S(=O)(=O)C)C2=C/C(=C\3/C=CC=CC3=O)/NC=N2

InChI

InChI=1S/C18H17N3O3S/c1-21(13-6-5-7-14(10-13)25(2,23)24)18-11-16(19-12-20-18)15-8-3-4-9-17(15)22/h3-12H,1-2H3,(H,19,20)/b16-15+