N,N,N'-trimethyl-N'-(2-phenyl-8-pyridin-4-yl-7H-purin-6-yl)propane-1,3-diamine

Systemtic Name: N,N,N'-trimethyl-N'-(2-phenyl-8-pyridin-4-yl-7H-purin-6-yl)propane-1,3-diamine Openeye Name: N,N,N'-trimethyl-N'-[2-phenyl-8-(4-pyridyl)-7H-purin-6-yl]propane-1,3-diamine CAS Name: N,N,N'-trimethyl-N'-(2-phenyl-8-pyridin-4-yl-7H-purin-6-yl)propane-1,3-diamine IUPAC Name: N,N,N'-trimethyl-N'-(2-phenyl-8-pyridin-4-yl-7H-purin-6-yl)propane-1,3-diamine Traditional Name: dimethyl-[3-[methyl-[2-phenyl-8-(4-pyridyl)-7H-purin-6-yl]amino]propyl]amine Formula: C22H25N7 MolecularWeight: 387.4808

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C)C1=NC(=NC2=C1NC(=N2)C3=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(C)CCCN(C)C1=NC(=NC2=C1NC(=N2)C3=CC=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N7/c1-28(2)14-7-15-29(3)22-18-21(25-19(24-18)17-10-12-23-13-11-17)26-20(27-22)16-8-5-4-6-9-16/h4-6,8-13H,7,14-15H2,1-3H3,(H,24,25,26,27)