3-(4-chlorophenyl)-7-(4-cyclohexylpiperazin-4-ium-1-yl)-[1,2]thiazolo[4,5-d]pyrimidine

Systemtic Name: 3-(4-chlorophenyl)-7-(4-cyclohexylpiperazin-4-ium-1-yl)-[1,2]thiazolo[4,5-d]pyrimidine Openeye Name: 3-(4-chlorophenyl)-7-(4-cyclohexylpiperazin-4-ium-1-yl)isothiazolo[4,5-d]pyrimidine CAS Name: 3-(4-chlorophenyl)-7-(4-cyclohexyl-1-piperazin-4-iumyl)isothiazolo[4,5-d]pyrimidine IUPAC Name: 3-(4-chlorophenyl)-7-(4-cyclohexylpiperazin-4-ium-1-yl)-[1,2]thiazolo[4,5-d]pyrimidine Traditional Name: 3-(4-chlorophenyl)-7-(4-cyclohexylpiperazin-4-ium-1-yl)isothiazolo[4,5-d]pyrimidine Formula: C21H25ClN5S+ MolecularWeight: 414.9747

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C3=NC=NC4=C3SN=C4C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C3=NC=NC4=C3SN=C4C5=CC=C(C=C5)Cl

InChI

InChI=1S/C21H24ClN5S/c22-16-8-6-15(7-9-16)18-19-20(28-25-18)21(24-14-23-19)27-12-10-26(11-13-27)17-4-2-1-3-5-17/h6-9,14,17H,1-5,10-13H2/p+1