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

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

Isomeric SMILES

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

InChI

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