2-[[(2,4-dichlorophenyl)methyl-methyl-azaniumyl]methyl]thieno[3,2-d]pyrimidin-4-olate

Systemtic Name: 2-[[(2,4-dichlorophenyl)methyl-methyl-azaniumyl]methyl]thieno[3,2-d]pyrimidin-4-olate Openeye Name: 2-[[(2,4-dichlorophenyl)methyl-methyl-ammonio]methyl]thieno[3,2-d]pyrimidin-4-olate CAS Name: 2-[[(2,4-dichlorophenyl)methyl-methylammonio]methyl]-4-thieno[3,2-d]pyrimidinolate IUPAC Name: 2-[[(2,4-dichlorophenyl)methyl-methylazaniumyl]methyl]thieno[3,2-d]pyrimidin-4-olate Traditional Name: 2-[[(2,4-dichlorobenzyl)-methyl-ammonio]methyl]thieno[3,2-d]pyrimidin-4-olate Formula: C15H13Cl2N3OS MolecularWeight: 354.25422

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=C(C=C1)Cl)Cl)CC2=NC3=C(C(=N2)[O-])SC=C3

Isomeric SMILES

C[NH+](CC1=C(C=C(C=C1)Cl)Cl)CC2=NC3=C(C(=N2)[O-])SC=C3

InChI

InChI=1S/C15H13Cl2N3OS/c1-20(7-9-2-3-10(16)6-11(9)17)8-13-18-12-4-5-22-14(12)15(21)19-13/h2-6H,7-8H2,1H3,(H,18,19,21)