2-[[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[(5-bromo-2-thienyl)methyl-ethyl-amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(5-bromo-2-thiophenyl)methyl-ethylamino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[(5-bromothiophen-2-yl)methyl-ethylamino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(5-bromo-2-thienyl)methyl-ethyl-amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H18BrN3OS2 MolecularWeight: 460.41042

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Br)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CCN(CC1=CC=C(S1)Br)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C20H18BrN3OS2/c1-2-24(10-14-8-9-16(21)27-14)11-17-22-19(25)18-15(12-26-20(18)23-17)13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H,22,23,25)