2-pyridin-3-yl-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-quinazoline

Systemtic Name: 2-pyridin-3-yl-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-quinazoline Openeye Name: 2-(3-pyridyl)-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]quinazoline CAS Name: 2-(3-pyridinyl)-4-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]quinazoline IUPAC Name: 2-pyridin-3-yl-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylquinazoline Traditional Name: 2-(3-pyridyl)-4-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]quinazoline Formula: C22H19N5O2S2 MolecularWeight: 449.54856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C22H19N5O2S2/c28-31(29,27-12-3-4-13-27)17-9-10-20(24-15-17)30-22-18-7-1-2-8-19(18)25-21(26-22)16-6-5-11-23-14-16/h1-2,5-11,14-15H,3-4,12-13H2