3-[[4-[[4-(cyanomethoxy)phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[4-[[4-(cyanomethoxy)phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[4-[4-(cyanomethoxy)anilino]-5-methyl-pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[4-[4-(cyanomethoxy)anilino]-5-methyl-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[4-[4-(cyanomethoxy)anilino]-5-methylpyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[4-[4-(cyanomethoxy)anilino]-5-methyl-pyrimidin-2-yl]amino]benzenesulfonamide Formula: C19H18N6O3S MolecularWeight: 410.44962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1NC2=CC=C(C=C2)OCC#N)NC3=CC(=CC=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CN=C(N=C1NC2=CC=C(C=C2)OCC#N)NC3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C19H18N6O3S/c1-13-12-22-19(24-15-3-2-4-17(11-15)29(21,26)27)25-18(13)23-14-5-7-16(8-6-14)28-10-9-20/h2-8,11-12H,10H2,1H3,(H2,21,26,27)(H2,22,23,24,25)