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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])[NH2+]C1=C2C(=CSC2=NC(=N1)C)C3=CC=CC=C3

Isomeric SMILES

CC[C@@H](C(=O)[O-])[NH2+]C1=C2C(=CSC2=NC(=N1)C)C3=CC=CC=C3

InChI

InChI=1S/C17H17N3O2S/c1-3-13(17(21)22)20-15-14-12(11-7-5-4-6-8-11)9-23-16(14)19-10(2)18-15/h4-9,13H,3H2,1-2H3,(H,21,22)(H,18,19,20)/t13-/m0/s1