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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2S/c1-10(2)15(18(22)23)21-16-14-13(12-7-5-4-6-8-12)11(3)24-17(14)20-9-19-16/h4-10,15H,1-3H3,(H,22,23)(H,19,20,21)/t15-/m0/s1