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

Systemtic Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]methanesulfonamide Openeye Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]methanesulfonamide CAS Name: N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl]thio]phenyl]methanesulfonamide IUPAC Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]methanesulfonamide Traditional Name: N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]thio]phenyl]methanesulfonamide Formula: C19H18N6O2S2 MolecularWeight: 426.51522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)NS(=O)(=O)C

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)NS(=O)(=O)C

InChI

InChI=1S/C19H18N6O2S2/c1-12-11-17(24-23-12)21-18-15-5-3-4-6-16(15)20-19(22-18)28-14-9-7-13(8-10-14)25-29(2,26)27/h3-11,25H,1-2H3,(H2,20,21,22,23,24)