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

Systemtic Name: N-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]methanesulfonamide Openeye Name: N-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]methanesulfonamide CAS Name: N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl]thio]phenyl]methanesulfonamide IUPAC Name: N-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]methanesulfonamide Traditional Name: N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]thio]phenyl]methanesulfonamide Formula: C21H20N6O2S2 MolecularWeight: 452.5525

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=N2)NC4=NNC(=C4)C5CC5

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=N2)NC4=NNC(=C4)C5CC5

InChI

InChI=1S/C21H20N6O2S2/c1-31(28,29)27-14-8-10-15(11-9-14)30-21-22-17-5-3-2-4-16(17)20(24-21)23-19-12-18(25-26-19)13-6-7-13/h2-5,8-13,27H,6-7H2,1H3,(H2,22,23,24,25,26)