azanyl-[6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)ethyl]purin-2-yl]methanethiol

Systemtic Name: azanyl-[6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)ethyl]purin-2-yl]methanethiol Openeye Name: amino-[6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)ethyl]purin-2-yl]methanethiol CAS Name: amino-[6-(cyclohexylamino)-9-[2-(4-methyl-1-piperazinyl)ethyl]-2-purinyl]methanethiol IUPAC Name: amino-[6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)ethyl]purin-2-yl]methanethiol Traditional Name: amino-[6-(cyclohexylamino)-9-[2-(4-methylpiperazino)ethyl]purin-2-yl]methanethiol Formula: C19H32N8S MolecularWeight: 404.57598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCN2C=NC3=C2N=C(N=C3NC4CCCCC4)C(N)S

Isomeric SMILES

CN1CCN(CC1)CCN2C=NC3=C2N=C(N=C3NC4CCCCC4)C(N)S

InChI

InChI=1S/C19H32N8S/c1-25-7-9-26(10-8-25)11-12-27-13-21-15-17(22-14-5-3-2-4-6-14)23-18(16(20)28)24-19(15)27/h13-14,16,28H,2-12,20H2,1H3,(H,22,23,24)