5-(4-methylphenyl)-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine

Systemtic Name: 5-(4-methylphenyl)-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine Openeye Name: 5-(p-tolyl)-4-[4-(2-thienylsulfonyl)piperazin-1-yl]thieno[2,3-d]pyrimidine CAS Name: 5-(4-methylphenyl)-4-(4-thiophen-2-ylsulfonyl-1-piperazinyl)thieno[2,3-d]pyrimidine IUPAC Name: 5-(4-methylphenyl)-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine Traditional Name: 5-(p-tolyl)-4-[4-(2-thienylsulfonyl)piperazino]thieno[2,3-d]pyrimidine Formula: C21H20N4O2S3 MolecularWeight: 456.6041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C21H20N4O2S3/c1-15-4-6-16(7-5-15)17-13-29-21-19(17)20(22-14-23-21)24-8-10-25(11-9-24)30(26,27)18-3-2-12-28-18/h2-7,12-14H,8-11H2,1H3