2-[(3-chlorophenyl)methyl]-6-ethyl-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(3-chlorophenyl)methyl]-6-ethyl-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3-chlorophenyl)methyl]-6-ethyl-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3-chlorophenyl)methyl]-6-ethyl-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3-chlorophenyl)methyl]-6-ethyl-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(3-chlorobenzyl)-6-ethyl-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H19ClN2O2S MolecularWeight: 410.91646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(NC2=O)CC3=CC(=CC=C3)Cl)C4=CC(=CC=C4)OC

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(NC2=O)CC3=CC(=CC=C3)Cl)C4=CC(=CC=C4)OC

InChI

InChI=1S/C22H19ClN2O2S/c1-3-17-19(14-7-5-9-16(12-14)27-2)20-21(26)24-18(25-22(20)28-17)11-13-6-4-8-15(23)10-13/h4-10,12H,3,11H2,1-2H3,(H,24,25,26)