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

Systemtic Name: 7-(4-cyclohexylpiperazin-4-ium-1-yl)-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine Openeye Name: 7-(4-cyclohexylpiperazin-4-ium-1-yl)-3-phenyl-isothiazolo[4,5-d]pyrimidine CAS Name: 7-(4-cyclohexyl-1-piperazin-4-iumyl)-3-phenylisothiazolo[4,5-d]pyrimidine IUPAC Name: 7-(4-cyclohexylpiperazin-4-ium-1-yl)-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine Traditional Name: 7-(4-cyclohexylpiperazin-4-ium-1-yl)-3-phenyl-isothiazolo[4,5-d]pyrimidine Formula: C21H26N5S+ MolecularWeight: 380.52964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5S/c1-3-7-16(8-4-1)18-19-20(27-24-18)21(23-15-22-19)26-13-11-25(12-14-26)17-9-5-2-6-10-17/h1,3-4,7-8,15,17H,2,5-6,9-14H2/p+1