5-azanyl-2-[(6-bromanylquinazolin-4-yl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[(6-bromanylquinazolin-4-yl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[(6-bromoquinazolin-4-yl)amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[(6-bromo-4-quinazolinyl)amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[(6-bromoquinazolin-4-yl)amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[(6-bromoquinazolin-4-yl)amino]-5-keto-valeric acid Formula: C13H13BrN4O3 MolecularWeight: 353.17132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=NC=N2)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=NC=N2)NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C13H13BrN4O3/c14-7-1-2-9-8(5-7)12(17-6-16-9)18-10(13(20)21)3-4-11(15)19/h1-2,5-6,10H,3-4H2,(H2,15,19)(H,20,21)(H,16,17,18)