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

Systemtic Name: 2-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]-2-methyl-propanoate Openeye Name: 2-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]ammonio]-2-methyl-propanoate CAS Name: 2-[[5-(4-chlorophenyl)-4-thieno[2,3-d]pyrimidinyl]ammonio]-2-methylpropanoate IUPAC Name: 2-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]-2-methylpropanoate Traditional Name: 2-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]ammonio]-2-methyl-propionate Formula: C16H14ClN3O2S MolecularWeight: 347.81926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)[O-])[NH2+]C1=C2C(=CSC2=NC=N1)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)[O-])[NH2+]C1=C2C(=CSC2=NC=N1)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H14ClN3O2S/c1-16(2,15(21)22)20-13-12-11(7-23-14(12)19-8-18-13)9-3-5-10(17)6-4-9/h3-8H,1-2H3,(H,21,22)(H,18,19,20)