3-[4-(methylamino)quinazolin-2-yl]sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 3-[4-(methylamino)quinazolin-2-yl]sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 3-[4-(methylamino)quinazolin-2-yl]sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 3-[[4-(methylamino)-2-quinazolinyl]thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-[4-(methylamino)quinazolin-2-yl]sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-[[4-(methylamino)quinazolin-2-yl]thio]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=CC=CC=C21)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CNC1=NC(=NC2=CC=CC=C21)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H25N5O3S2/c1-23-21-18-6-2-3-7-19(18)25-22(26-21)31-15-12-20(28)24-16-8-10-17(11-9-16)32(29,30)27-13-4-5-14-27/h2-3,6-11H,4-5,12-15H2,1H3,(H,24,28)(H,23,25,26)