2-[2-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: 2-[2-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[2-[[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]methyl]-4-keto-quinazolin-3-yl]acetamide Formula: C22H25N5O4S2 MolecularWeight: 487.595

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

InChI

InChI=1S/C22H25N5O4S2/c23-19(28)14-27-20(25-18-8-4-3-7-17(18)22(27)29)15-32-21-10-9-16(13-24-21)33(30,31)26-11-5-1-2-6-12-26/h3-4,7-10,13H,1-2,5-6,11-12,14-15H2,(H2,23,28)