N6-(3-imidazol-1-ylpropyl)-N4-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(3-imidazol-1-ylpropyl)-N4-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(3-imidazol-1-ylpropyl)-N4-(3-pyridylmethyl)pyrimidine-4,5,6-triamine CAS Name: N6-[3-(1-imidazolyl)propyl]-N4-(3-pyridinylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(3-imidazol-1-ylpropyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C16H20N8 MolecularWeight: 324.3836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=C(C(=NC=N2)NCCCN3C=CN=C3)N

Isomeric SMILES

C1=CC(=CN=C1)CNC2=C(C(=NC=N2)NCCCN3C=CN=C3)N

InChI

InChI=1S/C16H20N8/c17-14-15(20-5-2-7-24-8-6-19-12-24)22-11-23-16(14)21-10-13-3-1-4-18-9-13/h1,3-4,6,8-9,11-12H,2,5,7,10,17H2,(H2,20,21,22,23)