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

Systemtic Name: (2S)-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]propanoate Openeye Name: (2S)-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]propanoate CAS Name: (2S)-2-[(2,6-dimethyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)ammonio]propanoate IUPAC Name: (2S)-2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]propanoate Traditional Name: (2S)-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]propionate Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C17H17N3O2S/c1-9(17(21)22)18-15-14-13(12-7-5-4-6-8-12)10(2)23-16(14)20-11(3)19-15/h4-9H,1-3H3,(H,21,22)(H,18,19,20)/t9-/m0/s1