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

Systemtic Name: (2R)-2-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]-3-oxidanyl-propanoate Openeye Name: (2R)-3-hydroxy-2-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]propanoate CAS Name: (2R)-3-hydroxy-2-[(2-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)ammonio]propanoate IUPAC Name: (2R)-3-hydroxy-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]propanoate Traditional Name: (2R)-3-hydroxy-2-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]propionate Formula: C16H15N3O3S MolecularWeight: 329.3736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S/c1-9-17-14(19-12(7-20)16(21)22)13-11(8-23-15(13)18-9)10-5-3-2-4-6-10/h2-6,8,12,20H,7H2,1H3,(H,21,22)(H,17,18,19)/t12-/m1/s1