2-[3-[(3-bromanyl-5-chloranyl-2-ethoxy-phenyl)methylamino]propylamino]-1H-quinazolin-4-one

Systemtic Name: 2-[3-[(3-bromanyl-5-chloranyl-2-ethoxy-phenyl)methylamino]propylamino]-1H-quinazolin-4-one Openeye Name: 2-[3-[(3-bromo-5-chloro-2-ethoxy-phenyl)methylamino]propylamino]-1H-quinazolin-4-one CAS Name: 2-[3-[(3-bromo-5-chloro-2-ethoxyphenyl)methylamino]propylamino]-1H-quinazolin-4-one IUPAC Name: 2-[3-[(3-bromo-5-chloro-2-ethoxyphenyl)methylamino]propylamino]-1H-quinazolin-4-one Traditional Name: 2-[3-[(3-bromo-5-chloro-2-ethoxy-benzyl)amino]propylamino]-1H-quinazolin-4-one Formula: C20H22BrClN4O2 MolecularWeight: 465.77128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1CNCCCNC2=NC(=O)C3=CC=CC=C3N2)Cl)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1CNCCCNC2=NC(=O)C3=CC=CC=C3N2)Cl)Br

InChI

InChI=1S/C20H22BrClN4O2/c1-2-28-18-13(10-14(22)11-16(18)21)12-23-8-5-9-24-20-25-17-7-4-3-6-15(17)19(27)26-20/h3-4,6-7,10-11,23H,2,5,8-9,12H2,1H3,(H2,24,25,26,27)