8-(2-chlorophenyl)-6-(4-ethylpiperazin-1-yl)-2-methyl-9-(oxan-4-ylmethyl)purine

Systemtic Name: 8-(2-chlorophenyl)-6-(4-ethylpiperazin-1-yl)-2-methyl-9-(oxan-4-ylmethyl)purine Openeye Name: 8-(2-chlorophenyl)-6-(4-ethylpiperazin-1-yl)-2-methyl-9-(tetrahydropyran-4-ylmethyl)purine CAS Name: 8-(2-chlorophenyl)-6-(4-ethyl-1-piperazinyl)-2-methyl-9-(4-oxanylmethyl)purine IUPAC Name: 8-(2-chlorophenyl)-6-(4-ethylpiperazin-1-yl)-2-methyl-9-(oxan-4-ylmethyl)purine Traditional Name: 8-(2-chlorophenyl)-6-(4-ethylpiperazino)-2-methyl-9-(tetrahydropyran-4-ylmethyl)purine Formula: C24H31ClN6O MolecularWeight: 454.99554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=NC3=C2N=C(N3CC4CCOCC4)C5=CC=CC=C5Cl)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=NC3=C2N=C(N3CC4CCOCC4)C5=CC=CC=C5Cl)C

InChI

InChI=1S/C24H31ClN6O/c1-3-29-10-12-30(13-11-29)23-21-24(27-17(2)26-23)31(16-18-8-14-32-15-9-18)22(28-21)19-6-4-5-7-20(19)25/h4-7,18H,3,8-16H2,1-2H3