2-[3-[(3-bromanyl-5-methoxy-1H-indol-7-yl)methylamino]propylamino]-1H-quinazolin-4-one

Systemtic Name: 2-[3-[(3-bromanyl-5-methoxy-1H-indol-7-yl)methylamino]propylamino]-1H-quinazolin-4-one Openeye Name: 2-[3-[(3-bromo-5-methoxy-1H-indol-7-yl)methylamino]propylamino]-1H-quinazolin-4-one CAS Name: 2-[3-[(3-bromo-5-methoxy-1H-indol-7-yl)methylamino]propylamino]-1H-quinazolin-4-one IUPAC Name: 2-[3-[(3-bromo-5-methoxy-1H-indol-7-yl)methylamino]propylamino]-1H-quinazolin-4-one Traditional Name: 2-[3-[(3-bromo-5-methoxy-1H-indol-7-yl)methylamino]propylamino]-1H-quinazolin-4-one Formula: C21H22BrN5O2 MolecularWeight: 456.33568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C(=CN2)Br)CNCCCNC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COC1=CC(=C2C(=C1)C(=CN2)Br)CNCCCNC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H22BrN5O2/c1-29-14-9-13(19-16(10-14)17(22)12-25-19)11-23-7-4-8-24-21-26-18-6-3-2-5-15(18)20(28)27-21/h2-3,5-6,9-10,12,23,25H,4,7-8,11H2,1H3,(H2,24,26,27,28)