azanyl-[9-cyclopentyl-6-[[2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]amino]purin-2-yl]methanethiol

Systemtic Name: azanyl-[9-cyclopentyl-6-[[2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]amino]purin-2-yl]methanethiol Openeye Name: amino-[9-cyclopentyl-6-[2-[3-(4-methylpiperazin-1-yl)propoxy]anilino]purin-2-yl]methanethiol CAS Name: amino-[9-cyclopentyl-6-[2-[3-(4-methyl-1-piperazinyl)propoxy]anilino]-2-purinyl]methanethiol IUPAC Name: amino-[9-cyclopentyl-6-[2-[3-(4-methylpiperazin-1-yl)propoxy]anilino]purin-2-yl]methanethiol Traditional Name: amino-[9-cyclopentyl-6-[2-[3-(4-methylpiperazino)propoxy]anilino]purin-2-yl]methanethiol Formula: C25H36N8OS MolecularWeight: 496.67134

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCOC2=CC=CC=C2NC3=NC(=NC4=C3N=CN4C5CCCC5)C(N)S

Isomeric SMILES

CN1CCN(CC1)CCCOC2=CC=CC=C2NC3=NC(=NC4=C3N=CN4C5CCCC5)C(N)S

InChI

InChI=1S/C25H36N8OS/c1-31-12-14-32(15-13-31)11-6-16-34-20-10-5-4-9-19(20)28-23-21-25(30-24(29-23)22(26)35)33(17-27-21)18-7-2-3-8-18/h4-5,9-10,17-18,22,35H,2-3,6-8,11-16,26H2,1H3,(H,28,29,30)