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

Systemtic Name: 6-[1-azanyl-3-(dimethylamino)-1-oxidanylidene-propan-2-yl]-4-[(3-bromophenyl)amino]quinazoline-2-carboxamide Openeye Name: 6-[2-amino-1-(dimethylaminomethyl)-2-oxo-ethyl]-4-(3-bromoanilino)quinazoline-2-carboxamide CAS Name: 6-[1-amino-3-(dimethylamino)-1-oxopropan-2-yl]-4-(3-bromoanilino)-2-quinazolinecarboxamide IUPAC Name: 6-[1-amino-3-(dimethylamino)-1-oxopropan-2-yl]-4-(3-bromoanilino)quinazoline-2-carboxamide Traditional Name: 6-[2-amino-1-(dimethylaminomethyl)-2-keto-ethyl]-4-(3-bromoanilino)quinazoline-2-carboxamide Formula: C20H21BrN6O2 MolecularWeight: 457.32374

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(C1=CC2=C(C=C1)N=C(N=C2NC3=CC(=CC=C3)Br)C(=O)N)C(=O)N

Isomeric SMILES

CN(C)CC(C1=CC2=C(C=C1)N=C(N=C2NC3=CC(=CC=C3)Br)C(=O)N)C(=O)N

InChI

InChI=1S/C20H21BrN6O2/c1-27(2)10-15(17(22)28)11-6-7-16-14(8-11)19(26-20(25-16)18(23)29)24-13-5-3-4-12(21)9-13/h3-9,15H,10H2,1-2H3,(H2,22,28)(H2,23,29)(H,24,25,26)