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

Systemtic Name: 2-[3-[(3-bromanyl-2-ethoxy-5-methoxy-phenyl)methylamino]propylamino]-1H-quinazolin-4-one Openeye Name: 2-[3-[(3-bromo-2-ethoxy-5-methoxy-phenyl)methylamino]propylamino]-1H-quinazolin-4-one CAS Name: 2-[3-[(3-bromo-2-ethoxy-5-methoxyphenyl)methylamino]propylamino]-1H-quinazolin-4-one IUPAC Name: 2-[3-[(3-bromo-2-ethoxy-5-methoxyphenyl)methylamino]propylamino]-1H-quinazolin-4-one Traditional Name: 2-[3-[(3-bromo-2-ethoxy-5-methoxy-benzyl)amino]propylamino]-1H-quinazolin-4-one Formula: C21H25BrN4O3 MolecularWeight: 461.3522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN4O3/c1-3-29-19-14(11-15(28-2)12-17(19)22)13-23-9-6-10-24-21-25-18-8-5-4-7-16(18)20(27)26-21/h4-5,7-8,11-12,23H,3,6,9-10,13H2,1-2H3,(H2,24,25,26,27)