2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]-9-propan-2-yl-purin-6-amine

Systemtic Name: 2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]-9-propan-2-yl-purin-6-amine Openeye Name: 2-(azepan-1-yl)-9-isopropyl-N-[(4-methoxyphenyl)methyl]purin-6-amine CAS Name: 2-(1-azepanyl)-N-[(4-methoxyphenyl)methyl]-9-propan-2-yl-6-purinamine IUPAC Name: 2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]-9-propan-2-ylpurin-6-amine Traditional Name: [2-(azepan-1-yl)-9-isopropyl-purin-6-yl]-p-anisyl-amine Formula: C22H30N6O MolecularWeight: 394.5132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)N4CCCCCC4

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)N4CCCCCC4

InChI

InChI=1S/C22H30N6O/c1-16(2)28-15-24-19-20(23-14-17-8-10-18(29-3)11-9-17)25-22(26-21(19)28)27-12-6-4-5-7-13-27/h8-11,15-16H,4-7,12-14H2,1-3H3,(H,23,25,26)