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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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