N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylphenyl]methanesulfonamide

Systemtic Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylphenyl]methanesulfonamide Openeye Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylphenyl]methanesulfonamide CAS Name: N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenyl-2-pyrimidinyl]thio]phenyl]methanesulfonamide IUPAC Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanylphenyl]methanesulfonamide Traditional Name: N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenyl-pyrimidin-2-yl]thio]phenyl]methanesulfonamide Formula: C21H20N6O2S2 MolecularWeight: 452.5525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2)C3=CC=CC=C3)SC4=CC=C(C=C4)NS(=O)(=O)C

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2)C3=CC=CC=C3)SC4=CC=C(C=C4)NS(=O)(=O)C

InChI

InChI=1S/C21H20N6O2S2/c1-14-12-20(26-25-14)23-19-13-18(15-6-4-3-5-7-15)22-21(24-19)30-17-10-8-16(9-11-17)27-31(2,28)29/h3-13,27H,1-2H3,(H2,22,23,24,25,26)