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

Systemtic Name: 2-[[5-(4-chlorophenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]azaniumyl]-2-methyl-propanoate Openeye Name: 2-[[5-(4-chlorophenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]ammonio]-2-methyl-propanoate CAS Name: 2-[[5-(4-chlorophenyl)-2-methyl-4-thieno[2,3-d]pyrimidinyl]ammonio]-2-methylpropanoate IUPAC Name: 2-[[5-(4-chlorophenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]azaniumyl]-2-methylpropanoate Traditional Name: 2-[[5-(4-chlorophenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]ammonio]-2-methyl-propionate Formula: C17H16ClN3O2S MolecularWeight: 361.84584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O2S/c1-9-19-14(21-17(2,3)16(22)23)13-12(8-24-15(13)20-9)10-4-6-11(18)7-5-10/h4-8H,1-3H3,(H,22,23)(H,19,20,21)