2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]-2-methyl-propanoate

Systemtic Name: 2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]-2-methyl-propanoate Openeye Name: 2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-2-methyl-propanoate CAS Name: 2-[(2,6-dimethyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)ammonio]-2-methylpropanoate IUPAC Name: 2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-2-methylpropanoate Traditional Name: 2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-2-methyl-propionate Formula: C18H19N3O2S MolecularWeight: 341.42736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=C(N=C2S1)C)[NH2+]C(C)(C)C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(N=C(N=C2S1)C)[NH2+]C(C)(C)C(=O)[O-])C3=CC=CC=C3

InChI

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