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

Systemtic Name: 2-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]ethanoate Openeye Name: 2-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]acetate CAS Name: 2-[(2-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)ammonio]acetate IUPAC Name: 2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]acetate Traditional Name: 2-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]acetate Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O2S/c1-9-17-14(16-7-12(19)20)13-11(8-21-15(13)18-9)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,19,20)(H,16,17,18)