4-(3-methylbutylsulfanyl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine

Systemtic Name: 4-(3-methylbutylsulfanyl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine Openeye Name: 4-isopentylsulfanyl-5-(p-tolyl)thieno[2,3-d]pyrimidine CAS Name: 4-(3-methylbutylthio)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(3-methylbutylsulfanyl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine Traditional Name: 4-(isoamylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidine Formula: C18H20N2S2 MolecularWeight: 328.4948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCCC(C)C

InChI

InChI=1S/C18H20N2S2/c1-12(2)8-9-21-17-16-15(10-22-18(16)20-11-19-17)14-6-4-13(3)5-7-14/h4-7,10-12H,8-9H2,1-3H3