5-[[4-[(3-ethynylphenyl)amino]-5-methyl-pyrimidin-2-yl]amino]-N,2-dimethyl-benzenesulfonamide

Systemtic Name: 5-[[4-[(3-ethynylphenyl)amino]-5-methyl-pyrimidin-2-yl]amino]-N,2-dimethyl-benzenesulfonamide Openeye Name: 5-[[4-(3-ethynylanilino)-5-methyl-pyrimidin-2-yl]amino]-N,2-dimethyl-benzenesulfonamide CAS Name: 5-[[4-(3-ethynylanilino)-5-methyl-2-pyrimidinyl]amino]-N,2-dimethylbenzenesulfonamide IUPAC Name: 5-[[4-(3-ethynylanilino)-5-methylpyrimidin-2-yl]amino]-N,2-dimethylbenzenesulfonamide Traditional Name: 5-[[4-(3-ethynylanilino)-5-methyl-pyrimidin-2-yl]amino]-N,2-dimethyl-benzenesulfonamide Formula: C21H21N5O2S MolecularWeight: 407.48874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC(=C3)C#C)C)S(=O)(=O)NC

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC(=C3)C#C)C)S(=O)(=O)NC

InChI

InChI=1S/C21H21N5O2S/c1-5-16-7-6-8-17(11-16)24-20-15(3)13-23-21(26-20)25-18-10-9-14(2)19(12-18)29(27,28)22-4/h1,6-13,22H,2-4H3,(H2,23,24,25,26)