2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-butyl-quinazolin-4-one

Systemtic Name: 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-butyl-quinazolin-4-one Openeye Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-butyl-quinazolin-4-one CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]-3-butyl-4-quinazolinone IUPAC Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-butylquinazolin-4-one Traditional Name: 2-[(4-aminoquinazolin-2-yl)methylthio]-3-butyl-quinazolin-4-one Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C21H21N5OS/c1-2-3-12-26-20(27)15-9-5-7-11-17(15)24-21(26)28-13-18-23-16-10-6-4-8-14(16)19(22)25-18/h4-11H,2-3,12-13H2,1H3,(H2,22,23,25)