2-[3-[(4-bromanyl-5-ethynyl-3-methyl-thiophen-2-yl)methylamino]propylamino]-1H-quinolin-4-one

Systemtic Name: 2-[3-[(4-bromanyl-5-ethynyl-3-methyl-thiophen-2-yl)methylamino]propylamino]-1H-quinolin-4-one Openeye Name: 2-[3-[(4-bromo-5-ethynyl-3-methyl-2-thienyl)methylamino]propylamino]-1H-quinolin-4-one CAS Name: 2-[3-[(4-bromo-5-ethynyl-3-methyl-2-thiophenyl)methylamino]propylamino]-1H-quinolin-4-one IUPAC Name: 2-[3-[(4-bromo-5-ethynyl-3-methylthiophen-2-yl)methylamino]propylamino]-1H-quinolin-4-one Traditional Name: 2-[3-[(4-bromo-5-ethynyl-3-methyl-2-thienyl)methylamino]propylamino]-4-quinolone Formula: C20H20BrN3OS MolecularWeight: 430.3613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1Br)C#C)CNCCCNC2=CC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=C(SC(=C1Br)C#C)CNCCCNC2=CC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H20BrN3OS/c1-3-17-20(21)13(2)18(26-17)12-22-9-6-10-23-19-11-16(25)14-7-4-5-8-15(14)24-19/h1,4-5,7-8,11,22H,6,9-10,12H2,2H3,(H2,23,24,25)