5-(4-chlorophenyl)-4-(4-cyclopentylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine

Systemtic Name: 5-(4-chlorophenyl)-4-(4-cyclopentylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine Openeye Name: 5-(4-chlorophenyl)-4-(4-cyclopentylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine CAS Name: 5-(4-chlorophenyl)-4-(4-cyclopentyl-1-piperazin-4-iumyl)thieno[2,3-d]pyrimidine IUPAC Name: 5-(4-chlorophenyl)-4-(4-cyclopentylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine Traditional Name: 5-(4-chlorophenyl)-4-(4-cyclopentylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine Formula: C21H24ClN4S+ MolecularWeight: 399.96006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C21H23ClN4S/c22-16-7-5-15(6-8-16)18-13-27-21-19(18)20(23-14-24-21)26-11-9-25(10-12-26)17-3-1-2-4-17/h5-8,13-14,17H,1-4,9-12H2/p+1