N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-3-methylsulfanyl-propanamide

Systemtic Name: N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-3-methylsulfanyl-propanamide Openeye Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-3-methylsulfanyl-propanamide CAS Name: N-[4-(3-bromoanilino)-6-quinazolinyl]-3-(methylthio)propanamide IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-3-methylsulfanylpropanamide Traditional Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-3-(methylthio)propionamide Formula: C18H17BrN4OS MolecularWeight: 417.32278

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br

Isomeric SMILES

CSCCC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H17BrN4OS/c1-25-8-7-17(24)22-14-5-6-16-15(10-14)18(21-11-20-16)23-13-4-2-3-12(19)9-13/h2-6,9-11H,7-8H2,1H3,(H,22,24)(H,20,21,23)