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

Systemtic Name: N-[4-[2-(azepan-1-yl)ethylsulfonyl]phenyl]-6-(cyclohexylmethoxy)-7H-purin-2-amine Openeye Name: N-[4-[2-(azepan-1-yl)ethylsulfonyl]phenyl]-6-(cyclohexylmethoxy)-7H-purin-2-amine CAS Name: N-[4-[2-(1-azepanyl)ethylsulfonyl]phenyl]-6-(cyclohexylmethoxy)-7H-purin-2-amine IUPAC Name: N-[4-[2-(azepan-1-yl)ethylsulfonyl]phenyl]-6-(cyclohexylmethoxy)-7H-purin-2-amine Traditional Name: [4-[2-(azepan-1-yl)ethylsulfonyl]phenyl]-[6-(cyclohexylmethoxy)-7H-purin-2-yl]amine Formula: C26H36N6O3S MolecularWeight: 512.66744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCS(=O)(=O)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)OCC5CCCCC5)NC=N4

Isomeric SMILES

C1CCCN(CC1)CCS(=O)(=O)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)OCC5CCCCC5)NC=N4

InChI

InChI=1S/C26H36N6O3S/c33-36(34,17-16-32-14-6-1-2-7-15-32)22-12-10-21(11-13-22)29-26-30-24-23(27-19-28-24)25(31-26)35-18-20-8-4-3-5-9-20/h10-13,19-20H,1-9,14-18H2,(H2,27,28,29,30,31)