(2R)-2-[(6-ethyl-2-propan-2-yl-thieno[2,3-d]pyrimidin-4-yl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-[(6-ethyl-2-propan-2-yl-thieno[2,3-d]pyrimidin-4-yl)amino]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[(6-ethyl-2-isopropyl-thieno[2,3-d]pyrimidin-4-yl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[(6-ethyl-2-propan-2-yl-4-thieno[2,3-d]pyrimidinyl)amino]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[(6-ethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(6-ethyl-2-isopropyl-thieno[2,3-d]pyrimidin-4-yl)amino]-4-(methylthio)butyrate Formula: C16H22N3O2S2- MolecularWeight: 352.49478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)C(C)C)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)C(C)C)N[C@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C16H23N3O2S2/c1-5-10-8-11-14(17-12(16(20)21)6-7-22-4)18-13(9(2)3)19-15(11)23-10/h8-9,12H,5-7H2,1-4H3,(H,20,21)(H,17,18,19)/p-1/t12-/m1/s1