6-(azepan-1-yl)-N4-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine

Systemtic Name: 6-(azepan-1-yl)-N4-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine Openeye Name: 6-(azepan-1-yl)-N4-(5-methylisoxazol-3-yl)pyrimidine-4,5-diamine CAS Name: 6-(1-azepanyl)-N4-(5-methyl-3-isoxazolyl)pyrimidine-4,5-diamine IUPAC Name: 6-(azepan-1-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(azepan-1-yl)pyrimidin-4-yl]-(5-methylisoxazol-3-yl)amine Formula: C14H20N6O MolecularWeight: 288.3482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=NC=NC(=C2N)N3CCCCCC3

Isomeric SMILES

CC1=CC(=NO1)NC2=NC=NC(=C2N)N3CCCCCC3

InChI

InChI=1S/C14H20N6O/c1-10-8-11(19-21-10)18-13-12(15)14(17-9-16-13)20-6-4-2-3-5-7-20/h8-9H,2-7,15H2,1H3,(H,16,17,18,19)