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

Systemtic Name: 2-[[5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]-2-methyl-propanoate Openeye Name: 2-[[5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]ammonio]-2-methyl-propanoate CAS Name: 2-[[5-(2,4-dimethylphenyl)-4-thieno[2,3-d]pyrimidinyl]ammonio]-2-methylpropanoate IUPAC Name: 2-[[5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]-2-methylpropanoate Traditional Name: 2-[[5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]ammonio]-2-methyl-propionate Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2S/c1-10-5-6-12(11(2)7-10)13-8-24-16-14(13)15(19-9-20-16)21-18(3,4)17(22)23/h5-9H,1-4H3,(H,22,23)(H,19,20,21)