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

Systemtic Name: (2S)-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]-3-methyl-butanoate Openeye Name: (2S)-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-3-methyl-butanoate CAS Name: (2S)-2-[(2,6-dimethyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)ammonio]-3-methylbutanoate IUPAC Name: (2S)-2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-3-methylbutanoate Traditional Name: (2S)-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-3-methyl-butyrate Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2S/c1-10(2)16(19(23)24)22-17-15-14(13-8-6-5-7-9-13)11(3)25-18(15)21-12(4)20-17/h5-10,16H,1-4H3,(H,23,24)(H,20,21,22)/t16-/m0/s1