3-[2-morpholin-4-yl-9-(phenylmethyl)purin-6-yl]aniline

Systemtic Name: 3-[2-morpholin-4-yl-9-(phenylmethyl)purin-6-yl]aniline Openeye Name: 3-(9-benzyl-2-morpholino-purin-6-yl)aniline CAS Name: 3-[2-(4-morpholinyl)-9-(phenylmethyl)-6-purinyl]aniline IUPAC Name: 3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)aniline Traditional Name: [3-(9-benzyl-2-morpholino-purin-6-yl)phenyl]amine Formula: C22H22N6O MolecularWeight: 386.44968

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=C3C(=N2)N(C=N3)CC4=CC=CC=C4)C5=CC(=CC=C5)N

Isomeric SMILES

C1COCCN1C2=NC(=C3C(=N2)N(C=N3)CC4=CC=CC=C4)C5=CC(=CC=C5)N

InChI

InChI=1S/C22H22N6O/c23-18-8-4-7-17(13-18)19-20-21(26-22(25-19)27-9-11-29-12-10-27)28(15-24-20)14-16-5-2-1-3-6-16/h1-8,13,15H,9-12,14,23H2