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

Systemtic Name: 2-[[5-(4-chlorophenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]azaniumyl]ethanoate Openeye Name: 2-[[5-(4-chlorophenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]ammonio]acetate CAS Name: 2-[[5-(4-chlorophenyl)-2-methyl-4-thieno[2,3-d]pyrimidinyl]ammonio]acetate IUPAC Name: 2-[[5-(4-chlorophenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]azaniumyl]acetate Traditional Name: 2-[[5-(4-chlorophenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]ammonio]acetate Formula: C15H12ClN3O2S MolecularWeight: 333.79268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=C(C=C3)Cl)[NH2+]CC(=O)[O-]

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=C(C=C3)Cl)[NH2+]CC(=O)[O-]

InChI

InChI=1S/C15H12ClN3O2S/c1-8-18-14(17-6-12(20)21)13-11(7-22-15(13)19-8)9-2-4-10(16)5-3-9/h2-5,7H,6H2,1H3,(H,20,21)(H,17,18,19)