(2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenyl-propanoate

Systemtic Name: (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenyl-propanoate Openeye Name: (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenyl-propanoate CAS Name: (2R)-2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]-3-phenylpropanoate IUPAC Name: (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanoate Traditional Name: (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenyl-propionate Formula: C17H16N3O2S- MolecularWeight: 326.39284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC(CC3=CC=CC=C3)C(=O)[O-])C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N[C@H](CC3=CC=CC=C3)C(=O)[O-])C

InChI

InChI=1S/C17H17N3O2S/c1-10-11(2)23-16-14(10)15(18-9-19-16)20-13(17(21)22)8-12-6-4-3-5-7-12/h3-7,9,13H,8H2,1-2H3,(H,21,22)(H,18,19,20)/p-1/t13-/m1/s1