6-(cyclohexylmethoxy)-N-[4-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]phenyl]-7H-purin-2-amine

Systemtic Name: 6-(cyclohexylmethoxy)-N-[4-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]phenyl]-7H-purin-2-amine Openeye Name: 6-(cyclohexylmethoxy)-N-[4-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]phenyl]-7H-purin-2-amine CAS Name: 6-(cyclohexylmethoxy)-N-[4-[2-(4-methyl-1-piperazinyl)ethylsulfonyl]phenyl]-7H-purin-2-amine IUPAC Name: 6-(cyclohexylmethoxy)-N-[4-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]phenyl]-7H-purin-2-amine Traditional Name: [6-(cyclohexylmethoxy)-7H-purin-2-yl]-[4-[2-(4-methylpiperazino)ethylsulfonyl]phenyl]amine Formula: C25H35N7O3S MolecularWeight: 513.6555

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCS(=O)(=O)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)OCC5CCCCC5)NC=N4

Isomeric SMILES

CN1CCN(CC1)CCS(=O)(=O)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)OCC5CCCCC5)NC=N4

InChI

InChI=1S/C25H35N7O3S/c1-31-11-13-32(14-12-31)15-16-36(33,34)21-9-7-20(8-10-21)28-25-29-23-22(26-18-27-23)24(30-25)35-17-19-5-3-2-4-6-19/h7-10,18-19H,2-6,11-17H2,1H3,(H2,26,27,28,29,30)