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

Systemtic Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]propane-1-sulfonamide Openeye Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]propane-1-sulfonamide CAS Name: N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl]thio]phenyl]-1-propanesulfonamide IUPAC Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]propane-1-sulfonamide Traditional Name: N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]thio]phenyl]propane-1-sulfonamide Formula: C21H22N6O2S2 MolecularWeight: 454.56838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O2S2/c1-3-12-31(28,29)27-15-8-10-16(11-9-15)30-21-22-18-7-5-4-6-17(18)20(24-21)23-19-13-14(2)25-26-19/h4-11,13,27H,3,12H2,1-2H3,(H2,22,23,24,25,26)