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

Systemtic Name: 3-[(3-butoxy-4-methoxy-phenyl)methyl]-N-ethyl-8-propan-2-yl-purin-6-amine Openeye Name: 3-[(3-butoxy-4-methoxy-phenyl)methyl]-N-ethyl-8-isopropyl-purin-6-amine CAS Name: 3-[(3-butoxy-4-methoxyphenyl)methyl]-N-ethyl-8-propan-2-yl-6-purinamine IUPAC Name: 3-[(3-butoxy-4-methoxyphenyl)methyl]-N-ethyl-8-propan-2-ylpurin-6-amine Traditional Name: [3-(3-butoxy-4-methoxy-benzyl)-8-isopropyl-purin-6-yl]-ethyl-amine Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)CN2C=NC(=C3C2=NC(=N3)C(C)C)NCC)OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)CN2C=NC(=C3C2=NC(=N3)C(C)C)NCC)OC

InChI

InChI=1S/C22H31N5O2/c1-6-8-11-29-18-12-16(9-10-17(18)28-5)13-27-14-24-21(23-7-2)19-22(27)26-20(25-19)15(3)4/h9-10,12,14-15,23H,6-8,11,13H2,1-5H3