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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2S/c1-9(16(20)21)19-14-13-12(11-6-4-3-5-7-11)10(2)22-15(13)18-8-17-14/h3-9H,1-2H3,(H,20,21)(H,17,18,19)/t9-/m0/s1