6-(1-azanyl-3-imidazol-1-yl-1-oxidanylidene-propan-2-yl)-4-[(3-bromophenyl)amino]quinazoline-2-carboxamide

Systemtic Name: 6-(1-azanyl-3-imidazol-1-yl-1-oxidanylidene-propan-2-yl)-4-[(3-bromophenyl)amino]quinazoline-2-carboxamide Openeye Name: 6-[2-amino-1-(imidazol-1-ylmethyl)-2-oxo-ethyl]-4-(3-bromoanilino)quinazoline-2-carboxamide CAS Name: 6-[1-amino-3-(1-imidazolyl)-1-oxopropan-2-yl]-4-(3-bromoanilino)-2-quinazolinecarboxamide IUPAC Name: 6-(1-amino-3-imidazol-1-yl-1-oxopropan-2-yl)-4-(3-bromoanilino)quinazoline-2-carboxamide Traditional Name: 6-[2-amino-1-(imidazol-1-ylmethyl)-2-keto-ethyl]-4-(3-bromoanilino)quinazoline-2-carboxamide Formula: C21H18BrN7O2 MolecularWeight: 480.31732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=NC(=NC3=C2C=C(C=C3)C(CN4C=CN=C4)C(=O)N)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NC(=NC3=C2C=C(C=C3)C(CN4C=CN=C4)C(=O)N)C(=O)N

InChI

InChI=1S/C21H18BrN7O2/c22-13-2-1-3-14(9-13)26-20-15-8-12(4-5-17(15)27-21(28-20)19(24)31)16(18(23)30)10-29-7-6-25-11-29/h1-9,11,16H,10H2,(H2,23,30)(H2,24,31)(H,26,27,28)