3-(4-oxidanylidene-6-phenyl-2-propan-2-yl-thieno[2,3-d]pyrimidin-3-yl)propanoate

Systemtic Name: 3-(4-oxidanylidene-6-phenyl-2-propan-2-yl-thieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: 3-(2-isopropyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)propanoate CAS Name: 3-(4-oxo-6-phenyl-2-propan-2-yl-3-thieno[2,3-d]pyrimidinyl)propanoate IUPAC Name: 3-(4-oxo-6-phenyl-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 3-(2-isopropyl-4-keto-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)propionate Formula: C18H17N2O3S- MolecularWeight: 341.40418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1CCC(=O)[O-]

Isomeric SMILES

CC(C)C1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1CCC(=O)[O-]

InChI

InChI=1S/C18H18N2O3S/c1-11(2)16-19-17-13(18(23)20(16)9-8-15(21)22)10-14(24-17)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,21,22)/p-1