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

Systemtic Name: N-[4-[4-azanyl-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]propane-2-sulfonamide Openeye Name: N-[4-[4-amino-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]propane-2-sulfonamide CAS Name: N-[4-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-2-quinazolinyl]thio]phenyl]-2-propanesulfonamide IUPAC Name: N-[4-[4-amino-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]propane-2-sulfonamide Traditional Name: N-[4-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)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)C2=C3C(=CC=C2)N=C(N=C3N)SC4=CC=C(C=C4)NS(=O)(=O)C(C)C

Isomeric SMILES

CC1=CC(=NN1)C2=C3C(=CC=C2)N=C(N=C3N)SC4=CC=C(C=C4)NS(=O)(=O)C(C)C

InChI

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