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

Systemtic Name: (2S)-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]butanoate Openeye Name: (2S)-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]butanoate CAS Name: (2S)-2-[(2,6-dimethyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)ammonio]butanoate IUPAC Name: (2S)-2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]butanoate Traditional Name: (2S)-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]butyrate Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])[NH2+]C1=C2C(=C(SC2=NC(=N1)C)C)C3=CC=CC=C3

Isomeric SMILES

CC[C@@H](C(=O)[O-])[NH2+]C1=C2C(=C(SC2=NC(=N1)C)C)C3=CC=CC=C3

InChI

InChI=1S/C18H19N3O2S/c1-4-13(18(22)23)21-16-15-14(12-8-6-5-7-9-12)10(2)24-17(15)20-11(3)19-16/h5-9,13H,4H2,1-3H3,(H,22,23)(H,19,20,21)/t13-/m0/s1