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

Systemtic Name: (2S,3S)-2-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-3-hydroxy-2-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]butanoate CAS Name: (2S,3S)-3-hydroxy-2-[(2-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)ammonio]butanoate IUPAC Name: (2S,3S)-3-hydroxy-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]butanoate Traditional Name: (2S,3S)-3-hydroxy-2-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]butyrate Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)[NH2+]C(C(C)O)C(=O)[O-]

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)[NH2+][C@@H]([C@H](C)O)C(=O)[O-]

InChI

InChI=1S/C17H17N3O3S/c1-9(21)14(17(22)23)20-15-13-12(11-6-4-3-5-7-11)8-24-16(13)19-10(2)18-15/h3-9,14,21H,1-2H3,(H,22,23)(H,18,19,20)/t9-,14-/m0/s1