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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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