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

Systemtic Name: (2S)-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]-4-methyl-pentanoate Openeye Name: (2S)-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-4-methyl-pentanoate CAS Name: (2S)-2-[(2,6-dimethyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)ammonio]-4-methylpentanoate IUPAC Name: (2S)-2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-4-methylpentanoate Traditional Name: (2S)-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-4-methyl-valerate Formula: C20H23N3O2S MolecularWeight: 369.48052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2S/c1-11(2)10-15(20(24)25)23-18-17-16(14-8-6-5-7-9-14)12(3)26-19(17)22-13(4)21-18/h5-9,11,15H,10H2,1-4H3,(H,24,25)(H,21,22,23)/t15-/m0/s1