N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-4-oxidanyl-but-2-ynamide

Systemtic Name: N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-4-oxidanyl-but-2-ynamide Openeye Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-hydroxy-but-2-ynamide CAS Name: N-[4-(3-bromoanilino)-6-quinazolinyl]-4-hydroxy-2-butynamide IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-hydroxybut-2-ynamide Traditional Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-hydroxy-but-2-ynamide Formula: C18H13BrN4O2 MolecularWeight: 397.22542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2C=C(C=C3)NC(=O)C#CCO

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2C=C(C=C3)NC(=O)C#CCO

InChI

InChI=1S/C18H13BrN4O2/c19-12-3-1-4-13(9-12)23-18-15-10-14(22-17(25)5-2-8-24)6-7-16(15)20-11-21-18/h1,3-4,6-7,9-11,24H,8H2,(H,22,25)(H,20,21,23)