5-chloranyl-2-(4-spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-ylpiperazin-1-yl)pyrimidine

Systemtic Name: 5-chloranyl-2-(4-spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-ylpiperazin-1-yl)pyrimidine Openeye Name: 5-chloro-2-(4-spiro[1H-isobenzofuran-3,4'-cyclohexane]-1'-ylpiperazin-1-yl)pyrimidine CAS Name: 5-chloro-2-[4-(1'-spiro[1H-isobenzofuran-3,4'-cyclohexane]yl)-1-piperazinyl]pyrimidine IUPAC Name: 5-chloro-2-(4-spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-ylpiperazin-1-yl)pyrimidine Traditional Name: 5-chloro-2-(4-spiro[cyclohexane-4,1'-phthalan]-1-ylpiperazino)pyrimidine Formula: C21H25ClN4O MolecularWeight: 384.9024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1N3CCN(CC3)C4=NC=C(C=N4)Cl)C5=CC=CC=C5CO2

Isomeric SMILES

C1CC2(CCC1N3CCN(CC3)C4=NC=C(C=N4)Cl)C5=CC=CC=C5CO2

InChI

InChI=1S/C21H25ClN4O/c22-17-13-23-20(24-14-17)26-11-9-25(10-12-26)18-5-7-21(8-6-18)19-4-2-1-3-16(19)15-27-21/h1-4,13-14,18H,5-12,15H2