N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-8-oxidanyl-quinazolin-2-yl]sulfanylphenyl]methanesulfonamide

Systemtic Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-8-oxidanyl-quinazolin-2-yl]sulfanylphenyl]methanesulfonamide Openeye Name: N-[4-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]methanesulfonamide CAS Name: N-[4-[[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl]thio]phenyl]methanesulfonamide IUPAC Name: N-[4-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]methanesulfonamide Traditional Name: N-[4-[[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]thio]phenyl]methanesulfonamide Formula: C19H18N6O3S2 MolecularWeight: 442.51462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC3=C2C=CC=C3O)SC4=CC=C(C=C4)NS(=O)(=O)C

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC3=C2C=CC=C3O)SC4=CC=C(C=C4)NS(=O)(=O)C

InChI

InChI=1S/C19H18N6O3S2/c1-11-10-16(24-23-11)20-18-14-4-3-5-15(26)17(14)21-19(22-18)29-13-8-6-12(7-9-13)25-30(2,27)28/h3-10,25-26H,1-2H3,(H2,20,21,22,23,24)