N-ethyl-3-[[4-methoxy-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methyl]-8-propan-2-yl-purin-6-amine

Systemtic Name: N-ethyl-3-[[4-methoxy-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methyl]-8-propan-2-yl-purin-6-amine Openeye Name: N-ethyl-8-isopropyl-3-[[4-methoxy-3-[(1-methyl-4-piperidyl)methoxy]phenyl]methyl]purin-6-amine CAS Name: N-ethyl-3-[[4-methoxy-3-[(1-methyl-4-piperidinyl)methoxy]phenyl]methyl]-8-propan-2-yl-6-purinamine IUPAC Name: N-ethyl-3-[[4-methoxy-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methyl]-8-propan-2-ylpurin-6-amine Traditional Name: ethyl-[8-isopropyl-3-[4-methoxy-3-[(1-methyl-4-piperidyl)methoxy]benzyl]purin-6-yl]amine Formula: C25H36N6O2 MolecularWeight: 452.59234

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C2C(=NC(=N2)C(C)C)N(C=N1)CC3=CC(=C(C=C3)OC)OCC4CCN(CC4)C

Isomeric SMILES

CCNC1=C2C(=NC(=N2)C(C)C)N(C=N1)CC3=CC(=C(C=C3)OC)OCC4CCN(CC4)C

InChI

InChI=1S/C25H36N6O2/c1-6-26-24-22-25(29-23(28-22)17(2)3)31(16-27-24)14-19-7-8-20(32-5)21(13-19)33-15-18-9-11-30(4)12-10-18/h7-8,13,16-18,26H,6,9-12,14-15H2,1-5H3