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

Systemtic Name: N-[4-[[3-bromanyl-4-(dimethylaminomethyl)phenyl]amino]quinazolin-6-yl]prop-2-enamide Openeye Name: N-[4-[3-bromo-4-(dimethylaminomethyl)anilino]quinazolin-6-yl]prop-2-enamide CAS Name: N-[4-[3-bromo-4-(dimethylaminomethyl)anilino]-6-quinazolinyl]-2-propenamide IUPAC Name: N-[4-[3-bromo-4-(dimethylaminomethyl)anilino]quinazolin-6-yl]prop-2-enamide Traditional Name: N-[4-[3-bromo-4-(dimethylaminomethyl)anilino]quinazolin-6-yl]acrylamide Formula: C20H20BrN5O MolecularWeight: 426.3097

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=O)C=C)Br

Isomeric SMILES

CN(C)CC1=C(C=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=O)C=C)Br

InChI

InChI=1S/C20H20BrN5O/c1-4-19(27)24-14-7-8-18-16(9-14)20(23-12-22-18)25-15-6-5-13(11-26(2)3)17(21)10-15/h4-10,12H,1,11H2,2-3H3,(H,24,27)(H,22,23,25)