N6-(3-imidazol-1-ylpropyl)-N4-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(3-imidazol-1-ylpropyl)-N4-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(3-imidazol-1-ylpropyl)-N4-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,5,6-triamine CAS Name: N6-[3-(1-imidazolyl)propyl]-N4-(2-oxolanylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(3-imidazol-1-ylpropyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C15H23N7O MolecularWeight: 317.38942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=C(C(=NC=N2)NCCCN3C=CN=C3)N

Isomeric SMILES

C1CC(OC1)CNC2=C(C(=NC=N2)NCCCN3C=CN=C3)N

InChI

InChI=1S/C15H23N7O/c16-13-14(18-4-2-6-22-7-5-17-11-22)20-10-21-15(13)19-9-12-3-1-8-23-12/h5,7,10-12H,1-4,6,8-9,16H2,(H2,18,19,20,21)