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

Systemtic Name: 2-[[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]methyl]-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[(5-bromo-2-thienyl)methyl-ethyl-amino]methyl]-5-(2-furyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(5-bromo-2-thiophenyl)methyl-ethylamino]methyl]-5-(2-furanyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[(5-bromothiophen-2-yl)methyl-ethylamino]methyl]-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(5-bromo-2-thienyl)methyl-ethyl-amino]methyl]-5-(2-furyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H16BrN3O2S2 MolecularWeight: 450.37254

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Br)CC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2

Isomeric SMILES

CCN(CC1=CC=C(S1)Br)CC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2

InChI

InChI=1S/C18H16BrN3O2S2/c1-2-22(8-11-5-6-14(19)26-11)9-15-20-17(23)16-12(10-25-18(16)21-15)13-4-3-7-24-13/h3-7,10H,2,8-9H2,1H3,(H,20,21,23)