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

Systemtic Name: 7-[4-(4-methylcyclohexyl)piperazin-4-ium-1-yl]-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine Openeye Name: 7-[4-(4-methylcyclohexyl)piperazin-4-ium-1-yl]-3-phenyl-isothiazolo[4,5-d]pyrimidine CAS Name: 7-[4-(4-methylcyclohexyl)-1-piperazin-4-iumyl]-3-phenylisothiazolo[4,5-d]pyrimidine IUPAC Name: 7-[4-(4-methylcyclohexyl)piperazin-4-ium-1-yl]-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine Traditional Name: 7-[4-(4-methylcyclohexyl)piperazin-4-ium-1-yl]-3-phenyl-isothiazolo[4,5-d]pyrimidine Formula: C22H28N5S+ MolecularWeight: 394.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)[NH+]2CCN(CC2)C3=NC=NC4=C3SN=C4C5=CC=CC=C5

Isomeric SMILES

CC1CCC(CC1)[NH+]2CCN(CC2)C3=NC=NC4=C3SN=C4C5=CC=CC=C5

InChI

InChI=1S/C22H27N5S/c1-16-7-9-18(10-8-16)26-11-13-27(14-12-26)22-21-20(23-15-24-22)19(25-28-21)17-5-3-2-4-6-17/h2-6,15-16,18H,7-14H2,1H3/p+1