4-azanyl-2-[2-(3-bromophenyl)ethyl]-2-methyl-1H-quinazoline-7-carboxylic acid

Systemtic Name: 4-azanyl-2-[2-(3-bromophenyl)ethyl]-2-methyl-1H-quinazoline-7-carboxylic acid Openeye Name: 4-amino-2-[2-(3-bromophenyl)ethyl]-2-methyl-1H-quinazoline-7-carboxylic acid CAS Name: 4-amino-2-[2-(3-bromophenyl)ethyl]-2-methyl-1H-quinazoline-7-carboxylic acid IUPAC Name: 4-amino-2-[2-(3-bromophenyl)ethyl]-2-methyl-1H-quinazoline-7-carboxylic acid Traditional Name: 4-amino-2-[2-(3-bromophenyl)ethyl]-2-methyl-1H-quinazoline-7-carboxylic acid Formula: C18H18BrN3O2 MolecularWeight: 388.25842

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Descriptors Computed from Structure

Canonical SMILES:

CC1(NC2=C(C=CC(=C2)C(=O)O)C(=N1)N)CCC3=CC(=CC=C3)Br

Isomeric SMILES

CC1(NC2=C(C=CC(=C2)C(=O)O)C(=N1)N)CCC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H18BrN3O2/c1-18(8-7-11-3-2-4-13(19)9-11)21-15-10-12(17(23)24)5-6-14(15)16(20)22-18/h2-6,9-10,21H,7-8H2,1H3,(H2,20,22)(H,23,24)