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

Systemtic Name: (2S)-2-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[(2-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)ammonio]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-4-(methylthio)butyrate Formula: C18H19N3O2S2 MolecularWeight: 373.49236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2S2/c1-11-19-16(21-14(18(22)23)8-9-24-2)15-13(10-25-17(15)20-11)12-6-4-3-5-7-12/h3-7,10,14H,8-9H2,1-2H3,(H,22,23)(H,19,20,21)/t14-/m0/s1