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

Systemtic Name: 2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]ethanoate Openeye Name: 2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]acetate CAS Name: 2-[(2,6-dimethyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)ammonio]acetate IUPAC Name: 2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]acetate Traditional Name: 2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]acetate Formula: C16H15N3O2S MolecularWeight: 313.3742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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