3-(4-methoxyphenyl)-5-methyl-2-methylsulfanyl-6-tetradecyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(4-methoxyphenyl)-5-methyl-2-methylsulfanyl-6-tetradecyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(4-methoxyphenyl)-5-methyl-2-methylsulfanyl-6-tetradecyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(4-methoxyphenyl)-5-methyl-2-(methylthio)-6-tetradecyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(4-methoxyphenyl)-5-methyl-2-methylsulfanyl-6-tetradecylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(4-methoxyphenyl)-5-methyl-2-(methylthio)-6-myristyl-thieno[2,3-d]pyrimidin-4-one Formula: C29H42N2O2S2 MolecularWeight: 514.78598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=C(C=C3)OC)SC)C

Isomeric SMILES

CCCCCCCCCCCCCCC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=C(C=C3)OC)SC)C

InChI

InChI=1S/C29H42N2O2S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-25-22(2)26-27(35-25)30-29(34-4)31(28(26)32)23-18-20-24(33-3)21-19-23/h18-21H,5-17H2,1-4H3