dimethyl 2-(2,5-diphenyl-5,6-dihydrothieno[2,3-d]pyrimidin-4-yl)propanedioate

Systemtic Name: dimethyl 2-(2,5-diphenyl-5,6-dihydrothieno[2,3-d]pyrimidin-4-yl)propanedioate Openeye Name: dimethyl 2-(2,5-diphenyl-5,6-dihydrothieno[2,3-d]pyrimidin-4-yl)propanedioate CAS Name: 2-(2,5-diphenyl-5,6-dihydrothieno[2,3-d]pyrimidin-4-yl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(2,5-diphenyl-5,6-dihydrothieno[2,3-d]pyrimidin-4-yl)propanedioate Traditional Name: 2-(2,5-diphenyl-5,6-dihydrothieno[2,3-d]pyrimidin-4-yl)malonic acid dimethyl ester Formula: C23H20N2O4S MolecularWeight: 420.4809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=C2C(CSC2=NC(=N1)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC(=O)C(C1=C2C(CSC2=NC(=N1)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C23H20N2O4S/c1-28-22(26)18(23(27)29-2)19-17-16(14-9-5-3-6-10-14)13-30-21(17)25-20(24-19)15-11-7-4-8-12-15/h3-12,16,18H,13H2,1-2H3