N-[2,4-bis(azanyl)-5-chloranyl-quinazolin-6-yl]-2-(3-bromophenyl)ethanamide

Systemtic Name: N-[2,4-bis(azanyl)-5-chloranyl-quinazolin-6-yl]-2-(3-bromophenyl)ethanamide Openeye Name: 2-(3-bromophenyl)-N-(2,4-diamino-5-chloro-quinazolin-6-yl)acetamide CAS Name: 2-(3-bromophenyl)-N-(2,4-diamino-5-chloro-6-quinazolinyl)acetamide IUPAC Name: 2-(3-bromophenyl)-N-(2,4-diamino-5-chloroquinazolin-6-yl)acetamide Traditional Name: 2-(3-bromophenyl)-N-(2,4-diamino-5-chloro-quinazolin-6-yl)acetamide Formula: C16H13BrClN5O MolecularWeight: 406.66432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CC(=O)NC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl

Isomeric SMILES

C1=CC(=CC(=C1)Br)CC(=O)NC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl

InChI

InChI=1S/C16H13BrClN5O/c17-9-3-1-2-8(6-9)7-12(24)21-11-5-4-10-13(14(11)18)15(19)23-16(20)22-10/h1-6H,7H2,(H,21,24)(H4,19,20,22,23)