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

Systemtic Name: 2-[[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]ethanoate Openeye Name: 2-[[2-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]ammonio]acetate CAS Name: 2-[[2-methyl-5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]ammonio]acetate IUPAC Name: 2-[[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]acetate Traditional Name: 2-[[2-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]ammonio]acetate Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2S/c1-9-3-5-11(6-4-9)12-8-22-16-14(12)15(17-7-13(20)21)18-10(2)19-16/h3-6,8H,7H2,1-2H3,(H,20,21)(H,17,18,19)