N-[4-[[3-bromanyl-4-(2-dimethylaminoethyloxy)phenyl]amino]quinazolin-6-yl]prop-2-enamide

Systemtic Name: N-[4-[[3-bromanyl-4-(2-dimethylaminoethyloxy)phenyl]amino]quinazolin-6-yl]prop-2-enamide Openeye Name: N-[4-[3-bromo-4-(2-dimethylaminoethyloxy)anilino]quinazolin-6-yl]prop-2-enamide CAS Name: N-[4-[3-bromo-4-(2-dimethylaminoethyloxy)anilino]-6-quinazolinyl]-2-propenamide IUPAC Name: N-[4-[3-bromo-4-(2-dimethylaminoethyloxy)anilino]quinazolin-6-yl]prop-2-enamide Traditional Name: N-[4-[3-bromo-4-(2-dimethylaminoethyloxy)anilino]quinazolin-6-yl]acrylamide Formula: C21H22BrN5O2 MolecularWeight: 456.33568

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=C(C=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=O)C=C)Br

Isomeric SMILES

CN(C)CCOC1=C(C=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=O)C=C)Br

InChI

InChI=1S/C21H22BrN5O2/c1-4-20(28)25-14-5-7-18-16(11-14)21(24-13-23-18)26-15-6-8-19(17(22)12-15)29-10-9-27(2)3/h4-8,11-13H,1,9-10H2,2-3H3,(H,25,28)(H,23,24,26)