N6-(3-imidazol-1-ylpropyl)-N4-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(3-imidazol-1-ylpropyl)-N4-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(3-imidazol-1-ylpropyl)-N4-(5-methylisoxazol-3-yl)pyrimidine-4,5,6-triamine CAS Name: N6-[3-(1-imidazolyl)propyl]-N4-(5-methyl-3-isoxazolyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(3-imidazol-1-ylpropyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-(5-methylisoxazol-3-yl)amine Formula: C14H18N8O MolecularWeight: 314.34572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=C(C(=NC=N2)NCCCN3C=CN=C3)N

Isomeric SMILES

CC1=CC(=NO1)NC2=C(C(=NC=N2)NCCCN3C=CN=C3)N

InChI

InChI=1S/C14H18N8O/c1-10-7-11(21-23-10)20-14-12(15)13(18-8-19-14)17-3-2-5-22-6-4-16-9-22/h4,6-9H,2-3,5,15H2,1H3,(H2,17,18,19,20,21)