2-[[(5-chloranylthiophen-2-yl)methyl-methyl-azaniumyl]methyl]thieno[3,2-d]pyrimidin-4-olate

Systemtic Name: 2-[[(5-chloranylthiophen-2-yl)methyl-methyl-azaniumyl]methyl]thieno[3,2-d]pyrimidin-4-olate Openeye Name: 2-[[(5-chloro-2-thienyl)methyl-methyl-ammonio]methyl]thieno[3,2-d]pyrimidin-4-olate CAS Name: 2-[[(5-chloro-2-thiophenyl)methyl-methylammonio]methyl]-4-thieno[3,2-d]pyrimidinolate IUPAC Name: 2-[[(5-chlorothiophen-2-yl)methyl-methylazaniumyl]methyl]thieno[3,2-d]pyrimidin-4-olate Traditional Name: 2-[[(5-chloro-2-thienyl)methyl-methyl-ammonio]methyl]thieno[3,2-d]pyrimidin-4-olate Formula: C13H12ClN3OS2 MolecularWeight: 325.83688

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(S1)Cl)CC2=NC3=C(C(=N2)[O-])SC=C3

Isomeric SMILES

C[NH+](CC1=CC=C(S1)Cl)CC2=NC3=C(C(=N2)[O-])SC=C3

InChI

InChI=1S/C13H12ClN3OS2/c1-17(6-8-2-3-10(14)20-8)7-11-15-9-4-5-19-12(9)13(18)16-11/h2-5H,6-7H2,1H3,(H,15,16,18)