2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-7-chloranyl-3-(3-ethoxypropyl)quinazolin-4-one

Systemtic Name: 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-7-chloranyl-3-(3-ethoxypropyl)quinazolin-4-one Openeye Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-7-chloro-3-(3-ethoxypropyl)quinazolin-4-one CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]-7-chloro-3-(3-ethoxypropyl)-4-quinazolinone IUPAC Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-7-chloro-3-(3-ethoxypropyl)quinazolin-4-one Traditional Name: 2-[(4-aminoquinazolin-2-yl)methylthio]-7-chloro-3-(3-ethoxypropyl)quinazolin-4-one Formula: C22H22ClN5O2S MolecularWeight: 455.96038

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C22H22ClN5O2S/c1-2-30-11-5-10-28-21(29)16-9-8-14(23)12-18(16)26-22(28)31-13-19-25-17-7-4-3-6-15(17)20(24)27-19/h3-4,6-9,12H,2,5,10-11,13H2,1H3,(H2,24,25,27)