pentyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate

Systemtic Name: pentyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate Openeye Name: pentyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate CAS Name: 2-[[5-(4-methoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]propanoic acid pentyl ester IUPAC Name: pentyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate Traditional Name: 2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]thio]propionic acid amyl ester Formula: C21H24N2O3S2 MolecularWeight: 416.55686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(C)SC1=NC=NC2=C1C(=CS2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCOC(=O)C(C)SC1=NC=NC2=C1C(=CS2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24N2O3S2/c1-4-5-6-11-26-21(24)14(2)28-20-18-17(12-27-19(18)22-13-23-20)15-7-9-16(25-3)10-8-15/h7-10,12-14H,4-6,11H2,1-3H3