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

Systemtic Name: 2-[[5-(3,4-dimethylphenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]azaniumyl]ethanoate Openeye Name: 2-[[5-(3,4-dimethylphenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]ammonio]acetate CAS Name: 2-[[5-(3,4-dimethylphenyl)-2-methyl-4-thieno[2,3-d]pyrimidinyl]ammonio]acetate IUPAC Name: 2-[[5-(3,4-dimethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]azaniumyl]acetate Traditional Name: 2-[[5-(3,4-dimethylphenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]ammonio]acetate Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=NC(=NC(=C23)[NH2+]CC(=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=NC(=NC(=C23)[NH2+]CC(=O)[O-])C)C

InChI

InChI=1S/C17H17N3O2S/c1-9-4-5-12(6-10(9)2)13-8-23-17-15(13)16(18-7-14(21)22)19-11(3)20-17/h4-6,8H,7H2,1-3H3,(H,21,22)(H,18,19,20)