N-(4-phenylmethoxyphenyl)-9-propan-2-yl-purin-6-amine

Systemtic Name: N-(4-phenylmethoxyphenyl)-9-propan-2-yl-purin-6-amine Openeye Name: N-(4-benzyloxyphenyl)-9-isopropyl-purin-6-amine CAS Name: N-(4-phenylmethoxyphenyl)-9-propan-2-yl-6-purinamine IUPAC Name: N-(4-phenylmethoxyphenyl)-9-propan-2-ylpurin-6-amine Traditional Name: (4-benzoxyphenyl)-(9-isopropylpurin-6-yl)amine Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=CN=C2NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)N1C=NC2=C1N=CN=C2NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O/c1-15(2)26-14-24-19-20(22-13-23-21(19)26)25-17-8-10-18(11-9-17)27-12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H,22,23,25)