N,N-dimethyl-3-(2-methyl-6-morpholin-4-yl-8-phenyl-purin-9-yl)propan-1-amine

Systemtic Name: N,N-dimethyl-3-(2-methyl-6-morpholin-4-yl-8-phenyl-purin-9-yl)propan-1-amine Openeye Name: N,N-dimethyl-3-(2-methyl-6-morpholino-8-phenyl-purin-9-yl)propan-1-amine CAS Name: N,N-dimethyl-3-[2-methyl-6-(4-morpholinyl)-8-phenyl-9-purinyl]-1-propanamine IUPAC Name: N,N-dimethyl-3-(2-methyl-6-morpholin-4-yl-8-phenylpurin-9-yl)propan-1-amine Traditional Name: dimethyl-[3-(2-methyl-6-morpholino-8-phenyl-purin-9-yl)propyl]amine Formula: C21H28N6O MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCOCC3)N=C(N2CCCN(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCOCC3)N=C(N2CCCN(C)C)C4=CC=CC=C4

InChI

InChI=1S/C21H28N6O/c1-16-22-20(26-12-14-28-15-13-26)18-21(23-16)27(11-7-10-25(2)3)19(24-18)17-8-5-4-6-9-17/h4-6,8-9H,7,10-15H2,1-3H3