N-[5-[[7-(2-bromoethyloxy)-6-methoxy-quinazolin-4-yl]amino]pyrimidin-2-yl]benzamide

Systemtic Name: N-[5-[[7-(2-bromoethyloxy)-6-methoxy-quinazolin-4-yl]amino]pyrimidin-2-yl]benzamide Openeye Name: N-[5-[[7-(2-bromoethoxy)-6-methoxy-quinazolin-4-yl]amino]pyrimidin-2-yl]benzamide CAS Name: N-[5-[[7-(2-bromoethoxy)-6-methoxy-4-quinazolinyl]amino]-2-pyrimidinyl]benzamide IUPAC Name: N-[5-[[7-(2-bromoethoxy)-6-methoxyquinazolin-4-yl]amino]pyrimidin-2-yl]benzamide Traditional Name: N-[5-[[7-(2-bromoethoxy)-6-methoxy-quinazolin-4-yl]amino]pyrimidin-2-yl]benzamide Formula: C22H19BrN6O3 MolecularWeight: 495.32866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CN=C(N=C3)NC(=O)C4=CC=CC=C4)OCCBr

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CN=C(N=C3)NC(=O)C4=CC=CC=C4)OCCBr

InChI

InChI=1S/C22H19BrN6O3/c1-31-18-9-16-17(10-19(18)32-8-7-23)26-13-27-20(16)28-15-11-24-22(25-12-15)29-21(30)14-5-3-2-4-6-14/h2-6,9-13H,7-8H2,1H3,(H,26,27,28)(H,24,25,29,30)